N-[(1S)-3-(2,6-dimethylanilino)-3-oxo-1-phenylpropyl]benzamide

C24H24N2O2 — CID 51870095

IUPACN-[(1S)-3-(2,6-dimethylanilino)-3-oxo-1-phenylpropyl]benzamide
SMILESCc1cccc(C)c1NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24N2O2/c1-17-10-9-11-18(2)23(17)26-22(27)16-21(19-12-5-3-6-13-19)25-24(28)20-14-7-4-8-15-20/h3-15,21H,16H2,1-2H3,(H,25,28)(H,26,27)/t21-/m0/s1
InChIKeyKNCFMWMKJDTVOU-NRFANRHFSA-N
MW372.47 g/mol
LogP4.80
Rot. Bonds6

About N-[(1S)-3-(2,6-dimethylanilino)-3-oxo-1-phenylpropyl]benzamide

N-[(1S)-3-(2,6-dimethylanilino)-3-oxo-1-phenylpropyl]benzamide (PubChem CID 51870095) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[(1S)-3-(2,6-dimethylanilino)-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-3-(2,6-dimethylanilino)-3-oxo-1-phenylpropyl]benzamide
PubChem CID51870095
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC NameN-[(1S)-3-(2,6-dimethylanilino)-3-oxo-1-phenylpropyl]benzamide
SMILESCc1cccc(C)c1NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24N2O2/c1-17-10-9-11-18(2)23(17)26-22(27)16-21(19-12-5-3-6-13-19)25-24(28)20-14-7-4-8-15-20/h3-15,21H,16H2,1-2H3,(H,25,28)(H,26,27)/t21-/m0/s1
InChIKeyKNCFMWMKJDTVOU-NRFANRHFSA-N
XLogP4.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-3-(2-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 7946567
N-[3-[2,6-di(propan-2-yl)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 42993313
N-[(1S)-3-(4-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 7899822
N-[(1R)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 2113874
N-[(1S)-3-(3-acetylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 2464081
4-[(3-benzamido-3-phenylpropanoyl)amino]-N-methylbenzamide
CID 55333107
N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 16575195
N-[(1S)-3-(5-chloro-2-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 8502250
3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
N-[(1S)-3-(ethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 94041793
N-[3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide
CID 134014968

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-(2,6-dimethylanilino)-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[(1S)-3-(2,6-dimethylanilino)-3-oxo-1-phenylpropyl]benzamide (CID 51870095) is N-[(1S)-3-(2,6-dimethylanilino)-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[(1S)-3-(2,6-dimethylanilino)-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[(1S)-3-(2,6-dimethylanilino)-3-oxo-1-phenylpropyl]benzamide is Cc1cccc(C)c1NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1S)-3-(2,6-dimethylanilino)-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is KNCFMWMKJDTVOU-NRFANRHFSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-17-10-9-11-18(2)23(17)26-22(27)16-21(19-12-5-3-6-13-19)25-24(28)20-14-7-4-8-15-20/h3-15,21H,16H2,1-2H3,(H,25,28)(H,26,27)/t21-/m0/s1.
What are the key properties of N-[(1S)-3-(2,6-dimethylanilino)-3-oxo-1-phenylpropyl]benzamide?
N-[(1S)-3-(2,6-dimethylanilino)-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 372.47 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-(2,6-dimethylanilino)-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 51870095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).