N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide

C31H30N2O3 — CID 92987108

IUPACN-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide
SMILESCOc1ccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)N[C@H](C)c3ccccc3)cc2)cc1
InChIInChI=1S/C31H30N2O3/c1-23(26-9-5-3-6-10-26)32-30(34)21-24-13-17-28(18-14-24)33(31(35)27-11-7-4-8-12-27)22-25-15-19-29(36-2)20-16-25/h3-20,23H,21-22H2,1-2H3,(H,32,34)/t23-/m1/s1
InChIKeyJCVVRLAAXNUHQE-HSZRJFAPSA-N
MW478.59 g/mol
LogP5.96
Rot. Bonds9

About N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide

N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide (PubChem CID 92987108) has the molecular formula C31H30N2O3 and a molecular weight of 478.59 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide
PubChem CID92987108
Molecular FormulaC31H30N2O3
Molecular Weight478.59 g/mol
Exact Mass478.23
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide
SMILESCOc1ccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)N[C@H](C)c3ccccc3)cc2)cc1
InChIInChI=1S/C31H30N2O3/c1-23(26-9-5-3-6-10-26)32-30(34)21-24-13-17-28(18-14-24)33(31(35)27-11-7-4-8-12-27)22-25-15-19-29(36-2)20-16-25/h3-20,23H,21-22H2,1-2H3,(H,32,34)/t23-/m1/s1
InChIKeyJCVVRLAAXNUHQE-HSZRJFAPSA-N
XLogP5.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.59
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide with MolForge

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Related Compounds

N-benzyl-4-chloro-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide
CID 92987150
3-fluoro-N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide
CID 92987122
N-benzyl-2-methyl-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]benzamide
CID 46052536
3-fluoro-N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 46045658
1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 10144171
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-4-methylbenzamide
CID 46045788
N-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]furan-2-carboxamide
CID 92987128
N-benzyl-4-methyl-N-[3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]phenyl]benzamide
CID 93333842
N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]furan-2-carboxamide
CID 46052356
N-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 3724237
3-[[2-(4-methoxyphenyl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43877752

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide (CID 92987108) is N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide is COc1ccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)N[C@H](C)c3ccccc3)cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide?
The InChIKey is JCVVRLAAXNUHQE-HSZRJFAPSA-N. The full InChI is InChI=1S/C31H30N2O3/c1-23(26-9-5-3-6-10-26)32-30(34)21-24-13-17-28(18-14-24)33(31(35)27-11-7-4-8-12-27)22-25-15-19-29(36-2)20-16-25/h3-20,23H,21-22H2,1-2H3,(H,32,34)/t23-/m1/s1.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide?
N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide has a molecular weight of 478.59 g/mol, XLogP of 5.96, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide is sourced from PubChem (CID 92987108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).