N-[(1S)-2-(3-methylbutylamino)-2-oxo-1-phenylethyl]benzamide

C20H24N2O2 — CID 25391456

IUPACN-[(1S)-2-(3-methylbutylamino)-2-oxo-1-phenylethyl]benzamide
SMILESCC(C)CCNC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-15(2)13-14-21-20(24)18(16-9-5-3-6-10-16)22-19(23)17-11-7-4-8-12-17/h3-12,15,18H,13-14H2,1-2H3,(H,21,24)(H,22,23)/t18-/m0/s1
InChIKeyLWPGNBMPBFMXCG-SFHVURJKSA-N
MW324.42 g/mol
LogP3.32
Rot. Bonds7

About N-[(1S)-2-(3-methylbutylamino)-2-oxo-1-phenylethyl]benzamide

N-[(1S)-2-(3-methylbutylamino)-2-oxo-1-phenylethyl]benzamide (PubChem CID 25391456) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[(1S)-2-(3-methylbutylamino)-2-oxo-1-phenylethyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-2-(3-methylbutylamino)-2-oxo-1-phenylethyl]benzamide
PubChem CID25391456
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[(1S)-2-(3-methylbutylamino)-2-oxo-1-phenylethyl]benzamide
SMILESCC(C)CCNC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-15(2)13-14-21-20(24)18(16-9-5-3-6-10-16)22-19(23)17-11-7-4-8-12-17/h3-12,15,18H,13-14H2,1-2H3,(H,21,24)(H,22,23)/t18-/m0/s1
InChIKeyLWPGNBMPBFMXCG-SFHVURJKSA-N
XLogP3.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[2-(2-methylphenyl)ethylamino]-2-oxo-1-phenylethyl]benzamide
CID 55456531
N-[2-[[(2R)-2-(ethylamino)propyl]amino]-2-oxo-1-phenylethyl]benzamide;hydrochloride
CID 120654480
N-(2-hydrazinyl-2-oxo-1-phenylethyl)benzamide
CID 4534244
N-[2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]benzamide
CID 100963826
N-(3-phenylbutyl)benzamide
CID 62403316
N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250
N-[2-oxo-1-phenyl-2-(3-pyrazol-1-ylpropylamino)ethyl]benzamide
CID 55912679
N-[(2S)-1-[2-[[(2S)-2-benzamidopropanoyl]amino]ethylamino]-1-oxopropan-2-yl]benzamide
CID 71491153
N-[2-oxo-1-phenyl-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride
CID 119390719
4-[[2-[(4-methoxybenzoyl)amino]-2-phenylacetyl]amino]butanoic acid
CID 119170708
N-[2-oxo-1-phenyl-2-[[4-(phenylmethoxymethyl)phenyl]methylamino]ethyl]benzamide
CID 60553571
N-[(1S)-2-(furan-3-ylmethylamino)-2-oxo-1-phenylethyl]benzamide
CID 94062874

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(3-methylbutylamino)-2-oxo-1-phenylethyl]benzamide?
The IUPAC name of N-[(1S)-2-(3-methylbutylamino)-2-oxo-1-phenylethyl]benzamide (CID 25391456) is N-[(1S)-2-(3-methylbutylamino)-2-oxo-1-phenylethyl]benzamide.
What is the SMILES notation for N-[(1S)-2-(3-methylbutylamino)-2-oxo-1-phenylethyl]benzamide?
The canonical SMILES for N-[(1S)-2-(3-methylbutylamino)-2-oxo-1-phenylethyl]benzamide is CC(C)CCNC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1S)-2-(3-methylbutylamino)-2-oxo-1-phenylethyl]benzamide?
The InChIKey is LWPGNBMPBFMXCG-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15(2)13-14-21-20(24)18(16-9-5-3-6-10-16)22-19(23)17-11-7-4-8-12-17/h3-12,15,18H,13-14H2,1-2H3,(H,21,24)(H,22,23)/t18-/m0/s1.
What are the key properties of N-[(1S)-2-(3-methylbutylamino)-2-oxo-1-phenylethyl]benzamide?
N-[(1S)-2-(3-methylbutylamino)-2-oxo-1-phenylethyl]benzamide has a molecular weight of 324.42 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(3-methylbutylamino)-2-oxo-1-phenylethyl]benzamide is sourced from PubChem (CID 25391456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).