(2S)-N-(3-acetylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanamide

C19H22N2O2 — CID 8898640

IUPAC(2S)-N-(3-acetylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanamide
SMILESCC(=O)c1cccc(NC(=O)[C@H](C)N[C@@H](C)c2ccccc2)c1
InChIInChI=1S/C19H22N2O2/c1-13(16-8-5-4-6-9-16)20-14(2)19(23)21-18-11-7-10-17(12-18)15(3)22/h4-14,20H,1-3H3,(H,21,23)/t13-,14-/m0/s1
InChIKeyDTMCRDYHTUVPJB-KBPBESRZSA-N
MW310.40 g/mol
LogP3.57
Rot. Bonds6

About (2S)-N-(3-acetylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanamide

(2S)-N-(3-acetylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanamide (PubChem CID 8898640) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (2S)-N-(3-acetylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-acetylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanamide
PubChem CID8898640
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(2S)-N-(3-acetylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanamide
SMILESCC(=O)c1cccc(NC(=O)[C@H](C)N[C@@H](C)c2ccccc2)c1
InChIInChI=1S/C19H22N2O2/c1-13(16-8-5-4-6-9-16)20-14(2)19(23)21-18-11-7-10-17(12-18)15(3)22/h4-14,20H,1-3H3,(H,21,23)/t13-,14-/m0/s1
InChIKeyDTMCRDYHTUVPJB-KBPBESRZSA-N
XLogP3.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(1R)-1-phenylethyl]amino]-N-(3-sulfamoylphenyl)propanamide
CID 41074647
(2S)-2-[(3-acetylphenyl)carbamoylamino]-N-phenylpropanamide
CID 95325032
(2R)-N-(3-acetylphenyl)-2-[[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]amino]propanamide
CID 9001274
3-[(2,2-diphenylacetyl)amino]-N-(1-phenylethyl)benzamide
CID 43877741
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-phenylpropanamide
CID 81357170
N-methyl-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 63866912
(2S)-N-(4-acetylphenyl)-2-(benzhydrylamino)propanamide
CID 7516109
N-(3-acetylphenyl)-2-phenylpentanamide
CID 43009729
(2R)-N-(3-acetylphenyl)-2-[[(2R)-1-methoxypropan-2-yl]amino]-2-phenylacetamide
CID 2621450
(2S)-N-(4-methoxyphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 9248611
3-(2-acetamidopropanoylamino)benzoic acid
CID 43350881
(2S)-2-(benzhydrylamino)-N-(3-fluorophenyl)propanamide
CID 9445795

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-acetylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanamide?
The IUPAC name of (2S)-N-(3-acetylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanamide (CID 8898640) is (2S)-N-(3-acetylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanamide.
What is the SMILES notation for (2S)-N-(3-acetylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanamide?
The canonical SMILES for (2S)-N-(3-acetylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanamide is CC(=O)c1cccc(NC(=O)[C@H](C)N[C@@H](C)c2ccccc2)c1.
What is the InChIKey of (2S)-N-(3-acetylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanamide?
The InChIKey is DTMCRDYHTUVPJB-KBPBESRZSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13(16-8-5-4-6-9-16)20-14(2)19(23)21-18-11-7-10-17(12-18)15(3)22/h4-14,20H,1-3H3,(H,21,23)/t13-,14-/m0/s1.
What are the key properties of (2S)-N-(3-acetylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanamide?
(2S)-N-(3-acetylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanamide has a molecular weight of 310.40 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-acetylphenyl)-2-[[(1S)-1-phenylethyl]amino]propanamide is sourced from PubChem (CID 8898640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).