N-benzyl-2-methyl-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]benzamide

C31H30N2O2 — CID 46052536

IUPACN-benzyl-2-methyl-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]benzamide
SMILESCc1ccccc1C(=O)N(Cc1ccccc1)c1ccc(CC(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C31H30N2O2/c1-23-11-9-10-16-29(23)31(35)33(22-26-12-5-3-6-13-26)28-19-17-25(18-20-28)21-30(34)32-24(2)27-14-7-4-8-15-27/h3-20,24H,21-22H2,1-2H3,(H,32,34)
InChIKeyBOTNMKMZCNZTSS-UHFFFAOYSA-N
MW462.59 g/mol
LogP6.26
Rot. Bonds8

About N-benzyl-2-methyl-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]benzamide

N-benzyl-2-methyl-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]benzamide (PubChem CID 46052536) has the molecular formula C31H30N2O2 and a molecular weight of 462.59 g/mol. Its IUPAC name is N-benzyl-2-methyl-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]benzamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]benzamide
PubChem CID46052536
Molecular FormulaC31H30N2O2
Molecular Weight462.59 g/mol
Exact Mass462.23
IUPAC NameN-benzyl-2-methyl-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]benzamide
SMILESCc1ccccc1C(=O)N(Cc1ccccc1)c1ccc(CC(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C31H30N2O2/c1-23-11-9-10-16-29(23)31(35)33(22-26-12-5-3-6-13-26)28-19-17-25(18-20-28)21-30(34)32-24(2)27-14-7-4-8-15-27/h3-20,24H,21-22H2,1-2H3,(H,32,34)
InChIKeyBOTNMKMZCNZTSS-UHFFFAOYSA-N
XLogP6.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.59
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-chloro-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide
CID 92987150
N-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]furan-2-carboxamide
CID 92987128
N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide
CID 92987108
N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]furan-2-carboxamide
CID 46052356
3-fluoro-N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide
CID 92987122
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]thiophene-2-carboxamide
CID 46052688
N'-benzyl-N'-phenyl-N-(1-phenylethyl)propanediamide
CID 108945995
N-benzyl-4-methyl-N-[3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]phenyl]benzamide
CID 93333842
2-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide
CID 42702795
N-benzyl-N-[3-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]propanamide
CID 42859248
2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-(1-phenylethyl)acetamide
CID 133260926
N-butan-2-yl-2-methyl-N-[3-oxo-3-(1-phenylethylamino)propyl]benzamide
CID 42699069

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]benzamide?
The IUPAC name of N-benzyl-2-methyl-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]benzamide (CID 46052536) is N-benzyl-2-methyl-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]benzamide.
What is the SMILES notation for N-benzyl-2-methyl-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]benzamide?
The canonical SMILES for N-benzyl-2-methyl-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]benzamide is Cc1ccccc1C(=O)N(Cc1ccccc1)c1ccc(CC(=O)NC(C)c2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-methyl-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]benzamide?
The InChIKey is BOTNMKMZCNZTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O2/c1-23-11-9-10-16-29(23)31(35)33(22-26-12-5-3-6-13-26)28-19-17-25(18-20-28)21-30(34)32-24(2)27-14-7-4-8-15-27/h3-20,24H,21-22H2,1-2H3,(H,32,34).
What are the key properties of N-benzyl-2-methyl-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]benzamide?
N-benzyl-2-methyl-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]benzamide has a molecular weight of 462.59 g/mol, XLogP of 6.26, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]benzamide is sourced from PubChem (CID 46052536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).