4-[[(4-acetylphenyl)methyl-benzylamino]methyl]benzoic acid;N,N-bis[(4-tert-butylphenyl)methyl]-1-phenylmethanamine;N-[(4-fluorophenyl)methyl]-1-phenyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]methanamine;methyl 4-[[benzyl-[(4-methoxycarbonylphenyl)methyl]amino]methyl]benzoate

C106H109FN8O7 — CID 158097123

IUPAC4-[[(4-acetylphenyl)methyl-benzylamino]methyl]benzoic acid;N,N-bis[(4-tert-butylphenyl)methyl]-1-phenylmethanamine;N-[(4-fluorophenyl)methyl]-1-phenyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]methanamine;methyl 4-[[benzyl-[(4-methoxycarbonylphenyl)methyl]amino]methyl]benzoate
SMILESCC(=O)c1ccc(CN(Cc2ccccc2)Cc2ccc(C(=O)O)cc2)cc1.CC(C)(C)c1ccc(CN(Cc2ccccc2)Cc2ccc(C(C)(C)C)cc2)cc1.COC(=O)c1ccc(CN(Cc2ccccc2)Cc2ccc(C(=O)OC)cc2)cc1.Fc1ccc(CN(Cc2ccccc2)Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)cc1
InChIInChI=1S/C29H37N.C28H24FN5.C25H25NO4.C24H23NO3/c1-28(2,3)26-16-12-24(13-17-26)21-30(20-23-10-8-7-9-11-23)22-25-14-18-27(19-15-25)29(4,5)6;29-25-16-12-23(13-17-25)20-34(18-21-6-2-1-3-7-21)19-22-10-14-24(15-11-22)26-8-4-5-9-27(26)28-30-32-33-31-28;1-29-24(27)22-12-8-20(9-13-22)17-26(16-19-6-4-3-5-7-19)18-21-10-14-23(15-11-21)25(28)30-2;1-18(26)22-11-7-20(8-12-22)16-25(15-19-5-3-2-4-6-19)17-21-9-13-23(14-10-21)24(27)28/h7-19H,20-22H2,1-6H3;1-17H,18-20H2,(H,30,31,32,33);3-15H,16-18H2,1-2H3;2-14H,15-17H2,1H3,(H,27,28)
InChIKeyFOUOPMGELGCAPG-UHFFFAOYSA-N
MW1626.08 g/mol
LogP22.61
Rot. Bonds30

About 4-[[(4-acetylphenyl)methyl-benzylamino]methyl]benzoic acid;N,N-bis[(4-tert-butylphenyl)methyl]-1-phenylmethanamine;N-[(4-fluorophenyl)methyl]-1-phenyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]methanamine;methyl 4-[[benzyl-[(4-methoxycarbonylphenyl)methyl]amino]methyl]benzoate

4-[[(4-acetylphenyl)methyl-benzylamino]methyl]benzoic acid;N,N-bis[(4-tert-butylphenyl)methyl]-1-phenylmethanamine;N-[(4-fluorophenyl)methyl]-1-phenyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]methanamine;methyl 4-[[benzyl-[(4-methoxycarbonylphenyl)methyl]amino]methyl]benzoate (PubChem CID 158097123) has the molecular formula C106H109FN8O7 and a molecular weight of 1626.08 g/mol. Its IUPAC name is 4-[[(4-acetylphenyl)methyl-benzylamino]methyl]benzoic acid;N,N-bis[(4-tert-butylphenyl)methyl]-1-phenylmethanamine;N-[(4-fluorophenyl)methyl]-1-phenyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]methanamine;methyl 4-[[benzyl-[(4-methoxycarbonylphenyl)methyl]amino]methyl]benzoate.

Molecular Properties

Compound Name4-[[(4-acetylphenyl)methyl-benzylamino]methyl]benzoic acid;N,N-bis[(4-tert-butylphenyl)methyl]-1-phenylmethanamine;N-[(4-fluorophenyl)methyl]-1-phenyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]methanamine;methyl 4-[[benzyl-[(4-methoxycarbonylphenyl)methyl]amino]methyl]benzoate
PubChem CID158097123
Molecular FormulaC106H109FN8O7
Molecular Weight1626.08 g/mol
Exact Mass1624.84
IUPAC Name4-[[(4-acetylphenyl)methyl-benzylamino]methyl]benzoic acid;N,N-bis[(4-tert-butylphenyl)methyl]-1-phenylmethanamine;N-[(4-fluorophenyl)methyl]-1-phenyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]methanamine;methyl 4-[[benzyl-[(4-methoxycarbonylphenyl)methyl]amino]methyl]benzoate
SMILESCC(=O)c1ccc(CN(Cc2ccccc2)Cc2ccc(C(=O)O)cc2)cc1.CC(C)(C)c1ccc(CN(Cc2ccccc2)Cc2ccc(C(C)(C)C)cc2)cc1.COC(=O)c1ccc(CN(Cc2ccccc2)Cc2ccc(C(=O)OC)cc2)cc1.Fc1ccc(CN(Cc2ccccc2)Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)cc1
InChIInChI=1S/C29H37N.C28H24FN5.C25H25NO4.C24H23NO3/c1-28(2,3)26-16-12-24(13-17-26)21-30(20-23-10-8-7-9-11-23)22-25-14-18-27(19-15-25)29(4,5)6;29-25-16-12-23(13-17-25)20-34(18-21-6-2-1-3-7-21)19-22-10-14-24(15-11-22)26-8-4-5-9-27(26)28-30-32-33-31-28;1-29-24(27)22-12-8-20(9-13-22)17-26(16-19-6-4-3-5-7-19)18-21-10-14-23(15-11-21)25(28)30-2;1-18(26)22-11-7-20(8-12-22)16-25(15-19-5-3-2-4-6-19)17-21-9-13-23(14-10-21)24(27)28/h7-19H,20-22H2,1-6H3;1-17H,18-20H2,(H,30,31,32,33);3-15H,16-18H2,1-2H3;2-14H,15-17H2,1H3,(H,27,28)
InChIKeyFOUOPMGELGCAPG-UHFFFAOYSA-N
XLogP22.61
TPSA174.39 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds30
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001626.08
LogP ≤ 522.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 4-[[(4-acetylphenyl)methyl-benzylamino]methyl]benzoic acid;N,N-bis[(4-tert-butylphenyl)methyl]-1-phenylmethanamine;N-[(4-fluorophenyl)methyl]-1-phenyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]methanamine;methyl 4-[[benzyl-[(4-methoxycarbonylphenyl)methyl]amino]methyl]benzoate with MolForge

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Related Compounds

2-[methyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-N-(2,4,6-trifluorophenyl)acetamide
CID 71010731
2-[4-(bromomethyl)phenyl]benzoic acid;2-[4-(bromomethyl)phenyl]benzonitrile;5-[2-[4-(bromomethyl)phenyl]phenyl]-2H-tetrazole;methyl 2-[4-(bromomethyl)phenyl]benzoate
CID 160863630
(2S)-3-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]butanoic acid
CID 10315945
2-[pentyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-N-(2,4,6-trifluorophenyl)acetamide
CID 12071572
3-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]carbamoyl]benzoic acid
CID 54108331
methyl 4-[[[4-(aminomethyl)phenyl]methyl-benzylamino]methyl]benzoate
CID 142934382
methyl 5-(2-hydroxypropan-2-yl)-2-(methoxymethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
CID 19036114
3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxylic acid
CID 151442059
4-(pentanoylamino)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]benzoic acid
CID 18929695
2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]quinoline-6-carboxylic acid
CID 54345927
(2S)-3-methyl-2-[nitroso-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid
CID 146297898
1-butyl-3-phenyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]urea
CID 68517977

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-acetylphenyl)methyl-benzylamino]methyl]benzoic acid;N,N-bis[(4-tert-butylphenyl)methyl]-1-phenylmethanamine;N-[(4-fluorophenyl)methyl]-1-phenyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]methanamine;methyl 4-[[benzyl-[(4-methoxycarbonylphenyl)methyl]amino]methyl]benzoate?
The IUPAC name of 4-[[(4-acetylphenyl)methyl-benzylamino]methyl]benzoic acid;N,N-bis[(4-tert-butylphenyl)methyl]-1-phenylmethanamine;N-[(4-fluorophenyl)methyl]-1-phenyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]methanamine;methyl 4-[[benzyl-[(4-methoxycarbonylphenyl)methyl]amino]methyl]benzoate (CID 158097123) is 4-[[(4-acetylphenyl)methyl-benzylamino]methyl]benzoic acid;N,N-bis[(4-tert-butylphenyl)methyl]-1-phenylmethanamine;N-[(4-fluorophenyl)methyl]-1-phenyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]methanamine;methyl 4-[[benzyl-[(4-methoxycarbonylphenyl)methyl]amino]methyl]benzoate.
What is the SMILES notation for 4-[[(4-acetylphenyl)methyl-benzylamino]methyl]benzoic acid;N,N-bis[(4-tert-butylphenyl)methyl]-1-phenylmethanamine;N-[(4-fluorophenyl)methyl]-1-phenyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]methanamine;methyl 4-[[benzyl-[(4-methoxycarbonylphenyl)methyl]amino]methyl]benzoate?
The canonical SMILES for 4-[[(4-acetylphenyl)methyl-benzylamino]methyl]benzoic acid;N,N-bis[(4-tert-butylphenyl)methyl]-1-phenylmethanamine;N-[(4-fluorophenyl)methyl]-1-phenyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]methanamine;methyl 4-[[benzyl-[(4-methoxycarbonylphenyl)methyl]amino]methyl]benzoate is CC(=O)c1ccc(CN(Cc2ccccc2)Cc2ccc(C(=O)O)cc2)cc1.CC(C)(C)c1ccc(CN(Cc2ccccc2)Cc2ccc(C(C)(C)C)cc2)cc1.COC(=O)c1ccc(CN(Cc2ccccc2)Cc2ccc(C(=O)OC)cc2)cc1.Fc1ccc(CN(Cc2ccccc2)Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)cc1.
What is the InChIKey of 4-[[(4-acetylphenyl)methyl-benzylamino]methyl]benzoic acid;N,N-bis[(4-tert-butylphenyl)methyl]-1-phenylmethanamine;N-[(4-fluorophenyl)methyl]-1-phenyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]methanamine;methyl 4-[[benzyl-[(4-methoxycarbonylphenyl)methyl]amino]methyl]benzoate?
The InChIKey is FOUOPMGELGCAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N.C28H24FN5.C25H25NO4.C24H23NO3/c1-28(2,3)26-16-12-24(13-17-26)21-30(20-23-10-8-7-9-11-23)22-25-14-18-27(19-15-25)29(4,5)6;29-25-16-12-23(13-17-25)20-34(18-21-6-2-1-3-7-21)19-22-10-14-24(15-11-22)26-8-4-5-9-27(26)28-30-32-33-31-28;1-29-24(27)22-12-8-20(9-13-22)17-26(16-19-6-4-3-5-7-19)18-21-10-14-23(15-11-21)25(28)30-2;1-18(26)22-11-7-20(8-12-22)16-25(15-19-5-3-2-4-6-19)17-21-9-13-23(14-10-21)24(27)28/h7-19H,20-22H2,1-6H3;1-17H,18-20H2,(H,30,31,32,33);3-15H,16-18H2,1-2H3;2-14H,15-17H2,1H3,(H,27,28).
What are the key properties of 4-[[(4-acetylphenyl)methyl-benzylamino]methyl]benzoic acid;N,N-bis[(4-tert-butylphenyl)methyl]-1-phenylmethanamine;N-[(4-fluorophenyl)methyl]-1-phenyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]methanamine;methyl 4-[[benzyl-[(4-methoxycarbonylphenyl)methyl]amino]methyl]benzoate?
4-[[(4-acetylphenyl)methyl-benzylamino]methyl]benzoic acid;N,N-bis[(4-tert-butylphenyl)methyl]-1-phenylmethanamine;N-[(4-fluorophenyl)methyl]-1-phenyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]methanamine;methyl 4-[[benzyl-[(4-methoxycarbonylphenyl)methyl]amino]methyl]benzoate has a molecular weight of 1626.08 g/mol, XLogP of 22.61, 30 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-acetylphenyl)methyl-benzylamino]methyl]benzoic acid;N,N-bis[(4-tert-butylphenyl)methyl]-1-phenylmethanamine;N-[(4-fluorophenyl)methyl]-1-phenyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]methanamine;methyl 4-[[benzyl-[(4-methoxycarbonylphenyl)methyl]amino]methyl]benzoate is sourced from PubChem (CID 158097123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).