N,N-dibenzyl-3-(4-methylphenoxy)propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]propan-2-ol

C113H135N13O10 — CID 167674092

IUPACN,N-dibenzyl-3-(4-methylphenoxy)propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]propan-2-ol
SMILESCc1ccc(OCC(O)CN(Cc2ccn[nH]2)Cc2ccccc2C)cc1.Cc1ccc(OCC(O)CN(Cc2cnc[nH]2)Cc2ccccc2C)cc1.Cc1ccc(OCC(O)CN(Cc2cnn(C)c2)Cc2ccccc2C)cc1.Cc1ccc(OCC(O)CN(Cc2ncc[nH]2)Cc2ccccc2C)cc1.Cc1ccc(OCCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C24H25NO2.C23H29N3O2.3C22H27N3O2/c1-20-12-14-23(15-13-20)27-17-16-24(26)25(18-21-8-4-2-5-9-21)19-22-10-6-3-7-11-22;1-18-8-10-23(11-9-18)28-17-22(27)16-26(14-20-12-24-25(3)13-20)15-21-7-5-4-6-19(21)2;1-17-7-9-22(10-8-17)27-15-21(26)14-25(13-20-11-23-16-24-20)12-19-6-4-3-5-18(19)2;1-17-7-9-21(10-8-17)27-16-20(26)14-25(15-22-23-11-12-24-22)13-19-6-4-3-5-18(19)2;1-17-7-9-22(10-8-17)27-16-21(26)15-25(14-20-11-12-23-24-20)13-19-6-4-3-5-18(19)2/h2-15H,16-19H2,1H3;4-13,22,27H,14-17H2,1-3H3;3-11,16,21,26H,12-15H2,1-2H3,(H,23,24);3-12,20,26H,13-16H2,1-2H3,(H,23,24);3-12,21,26H,13-16H2,1-2H3,(H,23,24)
InChIKeyUOFDCWJWXCKCDG-UHFFFAOYSA-N
MW1835.40 g/mol
LogP18.88
Rot. Bonds44

About N,N-dibenzyl-3-(4-methylphenoxy)propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]propan-2-ol

N,N-dibenzyl-3-(4-methylphenoxy)propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]propan-2-ol (PubChem CID 167674092) has the molecular formula C113H135N13O10 and a molecular weight of 1835.40 g/mol. Its IUPAC name is N,N-dibenzyl-3-(4-methylphenoxy)propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound NameN,N-dibenzyl-3-(4-methylphenoxy)propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]propan-2-ol
PubChem CID167674092
Molecular FormulaC113H135N13O10
Molecular Weight1835.40 g/mol
Exact Mass1834.05
IUPAC NameN,N-dibenzyl-3-(4-methylphenoxy)propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]propan-2-ol
SMILESCc1ccc(OCC(O)CN(Cc2ccn[nH]2)Cc2ccccc2C)cc1.Cc1ccc(OCC(O)CN(Cc2cnc[nH]2)Cc2ccccc2C)cc1.Cc1ccc(OCC(O)CN(Cc2cnn(C)c2)Cc2ccccc2C)cc1.Cc1ccc(OCC(O)CN(Cc2ncc[nH]2)Cc2ccccc2C)cc1.Cc1ccc(OCCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C24H25NO2.C23H29N3O2.3C22H27N3O2/c1-20-12-14-23(15-13-20)27-17-16-24(26)25(18-21-8-4-2-5-9-21)19-22-10-6-3-7-11-22;1-18-8-10-23(11-9-18)28-17-22(27)16-26(14-20-12-24-25(3)13-20)15-21-7-5-4-6-19(21)2;1-17-7-9-22(10-8-17)27-15-21(26)14-25(13-20-11-23-16-24-20)12-19-6-4-3-5-18(19)2;1-17-7-9-21(10-8-17)27-16-20(26)14-25(15-22-23-11-12-24-22)13-19-6-4-3-5-18(19)2;1-17-7-9-22(10-8-17)27-16-21(26)15-25(14-20-11-12-23-24-20)13-19-6-4-3-5-18(19)2/h2-15H,16-19H2,1H3;4-13,22,27H,14-17H2,1-3H3;3-11,16,21,26H,12-15H2,1-2H3,(H,23,24);3-12,20,26H,13-16H2,1-2H3,(H,23,24);3-12,21,26H,13-16H2,1-2H3,(H,23,24)
InChIKeyUOFDCWJWXCKCDG-UHFFFAOYSA-N
XLogP18.88
TPSA264.20 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds44
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001835.40
LogP ≤ 518.88
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Analyze N,N-dibenzyl-3-(4-methylphenoxy)propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]propan-2-ol with MolForge

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Related Compounds

N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(4-phenyl-1H-pyrrol-3-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 167562959
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-2-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-3H-pyrrole-4-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-3H-pyrrole-5-carboxamide
CID 167642999
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-imidazole-5-carboxamide;N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-N-[(2-methylphenyl)methyl]-1H-pyrrole-3-carboxamide;1-[(1-methylimidazol-2-yl)methyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(5-methyl-3H-pyrrol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 167667412
N,N-dibenzyl-3-[4-(trifluoromethyl)phenoxy]propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 167697673
3-[4-[5-(1-benzyl-5-phenylimidazol-2-yl)-2-pyridinyl]phenoxy]-N-(2,3-dihydroxypropyl)-N,2,2-trimethylpropanamide;3-[4-[5-(1-benzyl-5-phenylimidazol-2-yl)-2-pyridinyl]phenoxy]-2,2-dimethylpropanoic acid;3-(methylamino)propane-1,2-diol;methyl 3-[4-[5-(1-benzyl-5-phenylimidazol-2-yl)-2-pyridinyl]phenoxy]-2,2-dimethylpropanoate;methyl 2,2-dimethyl-3-[4-[5-(5-phenyl-1H-imidazol-2-yl)-2-pyridinyl]phenoxy]propanoate
CID 157164256
3-(1H-imidazol-2-yl)-6,6-bis(4-methoxyphenyl)-1,7-dihydroindazole;3-(1H-imidazol-5-yl)-6,6-bis(4-methoxyphenyl)-1,7-dihydroindazole
CID 160665772
1-[bis[(4-methyl-3-pyridinyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(dibenzylamino)-3-(4-methylphenoxy)propan-2-one;N,N-dibenzyl-3-(4-methylphenoxy)propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]propan-2-ol
CID 167557743

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-3-(4-methylphenoxy)propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]propan-2-ol?
The IUPAC name of N,N-dibenzyl-3-(4-methylphenoxy)propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]propan-2-ol (CID 167674092) is N,N-dibenzyl-3-(4-methylphenoxy)propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for N,N-dibenzyl-3-(4-methylphenoxy)propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]propan-2-ol?
The canonical SMILES for N,N-dibenzyl-3-(4-methylphenoxy)propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]propan-2-ol is Cc1ccc(OCC(O)CN(Cc2ccn[nH]2)Cc2ccccc2C)cc1.Cc1ccc(OCC(O)CN(Cc2cnc[nH]2)Cc2ccccc2C)cc1.Cc1ccc(OCC(O)CN(Cc2cnn(C)c2)Cc2ccccc2C)cc1.Cc1ccc(OCC(O)CN(Cc2ncc[nH]2)Cc2ccccc2C)cc1.Cc1ccc(OCCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of N,N-dibenzyl-3-(4-methylphenoxy)propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]propan-2-ol?
The InChIKey is UOFDCWJWXCKCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2.C23H29N3O2.3C22H27N3O2/c1-20-12-14-23(15-13-20)27-17-16-24(26)25(18-21-8-4-2-5-9-21)19-22-10-6-3-7-11-22;1-18-8-10-23(11-9-18)28-17-22(27)16-26(14-20-12-24-25(3)13-20)15-21-7-5-4-6-19(21)2;1-17-7-9-22(10-8-17)27-15-21(26)14-25(13-20-11-23-16-24-20)12-19-6-4-3-5-18(19)2;1-17-7-9-21(10-8-17)27-16-20(26)14-25(15-22-23-11-12-24-22)13-19-6-4-3-5-18(19)2;1-17-7-9-22(10-8-17)27-16-21(26)15-25(14-20-11-12-23-24-20)13-19-6-4-3-5-18(19)2/h2-15H,16-19H2,1H3;4-13,22,27H,14-17H2,1-3H3;3-11,16,21,26H,12-15H2,1-2H3,(H,23,24);3-12,20,26H,13-16H2,1-2H3,(H,23,24);3-12,21,26H,13-16H2,1-2H3,(H,23,24).
What are the key properties of N,N-dibenzyl-3-(4-methylphenoxy)propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]propan-2-ol?
N,N-dibenzyl-3-(4-methylphenoxy)propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]propan-2-ol has a molecular weight of 1835.40 g/mol, XLogP of 18.88, 44 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-3-(4-methylphenoxy)propanamide;1-[1H-imidazol-2-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-[1H-imidazol-5-ylmethyl-[(2-methylphenyl)methyl]amino]-3-(4-methylphenoxy)propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-2-ol;1-(4-methylphenoxy)-3-[(2-methylphenyl)methyl-(1H-pyrazol-5-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 167674092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).