3-methyl-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]benzamide

C19H22N2O2 — CID 46757042

IUPAC3-methyl-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]benzamide
SMILESCc1cccc(C(=O)NC(C)C(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C19H22N2O2/c1-13-8-7-11-17(12-13)19(23)21-15(3)18(22)20-14(2)16-9-5-4-6-10-16/h4-12,14-15H,1-3H3,(H,20,22)(H,21,23)
InChIKeyCAZXRRLFVOJSDX-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.99
Rot. Bonds5

About 3-methyl-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]benzamide

3-methyl-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]benzamide (PubChem CID 46757042) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-methyl-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]benzamide
PubChem CID46757042
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name3-methyl-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]benzamide
SMILESCc1cccc(C(=O)NC(C)C(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C19H22N2O2/c1-13-8-7-11-17(12-13)19(23)21-15(3)18(22)20-14(2)16-9-5-4-6-10-16/h4-12,14-15H,1-3H3,(H,20,22)(H,21,23)
InChIKeyCAZXRRLFVOJSDX-UHFFFAOYSA-N
XLogP2.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide
CID 122195499
3-methyl-N-[1-(1-naphthalen-1-ylethylamino)-1-oxopropan-2-yl]benzamide
CID 112765749
N-[(2S)-1-[[(3S)-3-hydroxy-3-phenylpropyl]amino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 97007071
3-methyl-N-[(2R)-4-methylsulfanyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]benzamide
CID 8024256
N-[1-[1-(3,4-diethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 78771810
3-methyl-N-[1-oxo-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylamino]propan-2-yl]benzamide
CID 55958530
N-[(2S)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]-3-methylbenzamide
CID 9179483
N-[1-[1-(2,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 86995853
1-N-(3,5-dimethylphenyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109054462
3-methyl-N-(3-methylbutan-2-yl)benzamide
CID 18712138
3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94665537
3-iodo-N-[(1R)-1-phenylethyl]benzamide
CID 1101324

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]benzamide?
The IUPAC name of 3-methyl-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]benzamide (CID 46757042) is 3-methyl-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]benzamide?
The canonical SMILES for 3-methyl-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]benzamide is Cc1cccc(C(=O)NC(C)C(=O)NC(C)c2ccccc2)c1.
What is the InChIKey of 3-methyl-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]benzamide?
The InChIKey is CAZXRRLFVOJSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13-8-7-11-17(12-13)19(23)21-15(3)18(22)20-14(2)16-9-5-4-6-10-16/h4-12,14-15H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 3-methyl-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]benzamide?
3-methyl-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]benzamide has a molecular weight of 310.40 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]benzamide is sourced from PubChem (CID 46757042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).