[(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium

C19H23N2O2+ — CID 9248794

IUPAC[(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
SMILESCC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1
InChIInChI=1S/C19H22N2O2/c1-13(16-9-5-4-6-10-16)20-14(2)19(23)21-18-12-8-7-11-17(18)15(3)22/h4-14,20H,1-3H3,(H,21,23)/p+1/t13-,14+/m1/s1
InChIKeyUVWFPRLQESPYRD-KGLIPLIRSA-O
MW311.41 g/mol
LogP2.54
Rot. Bonds6

About [(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium

[(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium (PubChem CID 9248794) has the molecular formula C19H23N2O2+ and a molecular weight of 311.41 g/mol. Its IUPAC name is [(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium.

Molecular Properties

Compound Name[(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
PubChem CID9248794
Molecular FormulaC19H23N2O2+
Molecular Weight311.41 g/mol
Exact Mass311.18
IUPAC Name[(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
SMILESCC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1
InChIInChI=1S/C19H22N2O2/c1-13(16-9-5-4-6-10-16)20-14(2)19(23)21-18-12-8-7-11-17(18)15(3)22/h4-14,20H,1-3H3,(H,21,23)/p+1/t13-,14+/m1/s1
InChIKeyUVWFPRLQESPYRD-KGLIPLIRSA-O
XLogP2.54
TPSA62.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-oxo-1-(2,4,5-trichloroanilino)propan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 2576614
[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium
CID 9248578
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium
CID 9248668
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 9248772
[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 9248614
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 9248610
1-(2-acetylphenyl)-3-propan-2-ylurea
CID 28738066
benzhydryl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]azanium
CID 2551581
[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium
CID 9248820
N-(2-acetylphenyl)-2-methylpentanamide
CID 43183491
[2-(2-acetylanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9132063
2-[(2-acetylphenyl)carbamoylamino]acetic acid
CID 39733019

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium?
The IUPAC name of [(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium (CID 9248794) is [(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium.
What is the SMILES notation for [(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium?
The canonical SMILES for [(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium is CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1.
What is the InChIKey of [(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium?
The InChIKey is UVWFPRLQESPYRD-KGLIPLIRSA-O. The full InChI is InChI=1S/C19H22N2O2/c1-13(16-9-5-4-6-10-16)20-14(2)19(23)21-18-12-8-7-11-17(18)15(3)22/h4-14,20H,1-3H3,(H,21,23)/p+1/t13-,14+/m1/s1.
What are the key properties of [(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium?
[(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium has a molecular weight of 311.41 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium is sourced from PubChem (CID 9248794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).