2-methyl-N-[3-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-oxopropyl]benzamide

C23H30N2O2 — CID 9092093

IUPAC2-methyl-N-[3-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-oxopropyl]benzamide
SMILESCc1ccccc1C(=O)NCCC(=O)N[C@H](C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C23H30N2O2/c1-16(2)15-19-9-11-20(12-10-19)18(4)25-22(26)13-14-24-23(27)21-8-6-5-7-17(21)3/h5-12,16,18H,13-15H2,1-4H3,(H,24,27)(H,25,26)/t18-/m1/s1
InChIKeyCLJPSMWXXJPLOL-GOSISDBHSA-N
MW366.51 g/mol
LogP4.19
Rot. Bonds8

About 2-methyl-N-[3-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-oxopropyl]benzamide

2-methyl-N-[3-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-oxopropyl]benzamide (PubChem CID 9092093) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-methyl-N-[3-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[3-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-oxopropyl]benzamide
PubChem CID9092093
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name2-methyl-N-[3-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-oxopropyl]benzamide
SMILESCc1ccccc1C(=O)NCCC(=O)N[C@H](C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C23H30N2O2/c1-16(2)15-19-9-11-20(12-10-19)18(4)25-22(26)13-14-24-23(27)21-8-6-5-7-17(21)3/h5-12,16,18H,13-15H2,1-4H3,(H,24,27)(H,25,26)/t18-/m1/s1
InChIKeyCLJPSMWXXJPLOL-GOSISDBHSA-N
XLogP4.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]benzamide
CID 51231530
2-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide
CID 42702795
[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate
CID 55426216
N-[3-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide
CID 41037701
N-[1-(4-ethylphenyl)ethyl]-2-methylbenzamide
CID 17326783
N-[3-[(2-amino-2-oxo-1-phenylethyl)amino]-3-oxopropyl]-2-methylbenzamide
CID 51315358
2-[4-(2-methylpropyl)phenyl]-N-(1-phenylethyl)acetamide
CID 86249193
4-methoxy-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide
CID 86997778
6-acetamido-N-[1-[4-(2-methylpropyl)phenyl]ethyl]hexanamide
CID 112791697
2-methyl-N'-[4-(2-methylpropyl)benzoyl]benzohydrazide
CID 8623833
N-[2-[1-(4-ethoxyphenyl)ethylamino]-2-oxoethyl]-2-methylbenzamide
CID 51292786
N-[3-[1-(4-methoxyphenyl)propylamino]-3-oxopropyl]-2-methylbenzamide
CID 18090462

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-oxopropyl]benzamide?
The IUPAC name of 2-methyl-N-[3-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-oxopropyl]benzamide (CID 9092093) is 2-methyl-N-[3-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-methyl-N-[3-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-methyl-N-[3-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-oxopropyl]benzamide is Cc1ccccc1C(=O)NCCC(=O)N[C@H](C)c1ccc(CC(C)C)cc1.
What is the InChIKey of 2-methyl-N-[3-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-oxopropyl]benzamide?
The InChIKey is CLJPSMWXXJPLOL-GOSISDBHSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-16(2)15-19-9-11-20(12-10-19)18(4)25-22(26)13-14-24-23(27)21-8-6-5-7-17(21)3/h5-12,16,18H,13-15H2,1-4H3,(H,24,27)(H,25,26)/t18-/m1/s1.
What are the key properties of 2-methyl-N-[3-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-oxopropyl]benzamide?
2-methyl-N-[3-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-oxopropyl]benzamide has a molecular weight of 366.51 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 9092093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).