N-[4-[2-[(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]ethyl]phenyl]-4-methoxybenzamide

C27H30N2O4 — CID 10277672

IUPACN-[4-[2-[(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]ethyl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(CCNC3c4ccccc4OC(C)(C)C3O)cc2)cc1
InChIInChI=1S/C27H30N2O4/c1-27(2)25(30)24(22-6-4-5-7-23(22)33-27)28-17-16-18-8-12-20(13-9-18)29-26(31)19-10-14-21(32-3)15-11-19/h4-15,24-25,28,30H,16-17H2,1-3H3,(H,29,31)
InChIKeyNJXDZLMZEOELCB-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.35
Rot. Bonds7

About N-[4-[2-[(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]ethyl]phenyl]-4-methoxybenzamide

N-[4-[2-[(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]ethyl]phenyl]-4-methoxybenzamide (PubChem CID 10277672) has the molecular formula C27H30N2O4 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[4-[2-[(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]ethyl]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[2-[(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]ethyl]phenyl]-4-methoxybenzamide
PubChem CID10277672
Molecular FormulaC27H30N2O4
Molecular Weight446.55 g/mol
Exact Mass446.22
IUPAC NameN-[4-[2-[(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]ethyl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(CCNC3c4ccccc4OC(C)(C)C3O)cc2)cc1
InChIInChI=1S/C27H30N2O4/c1-27(2)25(30)24(22-6-4-5-7-23(22)33-27)28-17-16-18-8-12-20(13-9-18)29-26(31)19-10-14-21(32-3)15-11-19/h4-15,24-25,28,30H,16-17H2,1-3H3,(H,29,31)
InChIKeyNJXDZLMZEOELCB-UHFFFAOYSA-N
XLogP4.35
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[4-(2-phenylethylamino)phenyl]benzamide
CID 112983237
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109048012
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
N-ethyl-4-[(4-methoxybenzoyl)amino]benzamide
CID 17234279
N-(4-methoxyphenyl)-4-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]benzamide
CID 31910662
2-(dimethylamino)-5-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide
CID 4638056
N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 4677770
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
4-(diethylamino)-N-(4-methoxyphenyl)benzamide
CID 23965088
N-[4-[benzyl(ethyl)amino]phenyl]-4-methoxybenzamide
CID 112982849
[4-[(4-methylphenyl)carbamoyl]phenyl] 3-(4-methoxyphenyl)propanoate
CID 19221101
3-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055517

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]ethyl]phenyl]-4-methoxybenzamide?
The IUPAC name of N-[4-[2-[(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]ethyl]phenyl]-4-methoxybenzamide (CID 10277672) is N-[4-[2-[(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]ethyl]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-[2-[(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]ethyl]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[4-[2-[(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]ethyl]phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(CCNC3c4ccccc4OC(C)(C)C3O)cc2)cc1.
What is the InChIKey of N-[4-[2-[(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]ethyl]phenyl]-4-methoxybenzamide?
The InChIKey is NJXDZLMZEOELCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4/c1-27(2)25(30)24(22-6-4-5-7-23(22)33-27)28-17-16-18-8-12-20(13-9-18)29-26(31)19-10-14-21(32-3)15-11-19/h4-15,24-25,28,30H,16-17H2,1-3H3,(H,29,31).
What are the key properties of N-[4-[2-[(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]ethyl]phenyl]-4-methoxybenzamide?
N-[4-[2-[(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]ethyl]phenyl]-4-methoxybenzamide has a molecular weight of 446.55 g/mol, XLogP of 4.35, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]ethyl]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 10277672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).