(3S)-3-methyl-N-(phenylcarbamoyl)pentanamide

C13H18N2O2 — CID 12951440

IUPAC(3S)-3-methyl-N-(phenylcarbamoyl)pentanamide
SMILESCC[C@H](C)CC(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C13H18N2O2/c1-3-10(2)9-12(16)15-13(17)14-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H2,14,15,16,17)/t10-/m0/s1
InChIKeyZLFGSMUYDYMPPP-JTQLQIEISA-N
MW234.30 g/mol
LogP2.77
Rot. Bonds4

About (3S)-3-methyl-N-(phenylcarbamoyl)pentanamide

(3S)-3-methyl-N-(phenylcarbamoyl)pentanamide (PubChem CID 12951440) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (3S)-3-methyl-N-(phenylcarbamoyl)pentanamide.

Molecular Properties

Compound Name(3S)-3-methyl-N-(phenylcarbamoyl)pentanamide
PubChem CID12951440
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(3S)-3-methyl-N-(phenylcarbamoyl)pentanamide
SMILESCC[C@H](C)CC(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C13H18N2O2/c1-3-10(2)9-12(16)15-13(17)14-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H2,14,15,16,17)/t10-/m0/s1
InChIKeyZLFGSMUYDYMPPP-JTQLQIEISA-N
XLogP2.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(4-ethylphenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid
CID 62964654
3-oxo-N-(phenylcarbamoyl)butanamide
CID 10466039
(2S,3S)-3-methyl-2-[[3-oxo-3-(phenylcarbamoylamino)propyl]amino]pentanoic acid
CID 122100242
2-ethyl-N-(phenylcarbamoylcarbamoyl)butanamide
CID 551560
2-chloro-N-(phenylcarbamoyl)acetamide
CID 10976790
3-(2-methylbutylamino)-N-phenylbutanamide
CID 114244260
[2-oxo-2-(phenylcarbamoylamino)ethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 8970656
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide
CID 17193970
1-[4-(butan-2-ylamino)phenyl]-3-phenylurea
CID 112980502
N-(phenylcarbamoyl)-2-(2-propan-2-ylanilino)acetamide
CID 41397541
5-[(2-fluorophenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid
CID 62964130
N-(3-iodophenyl)-3-methylpentanamide
CID 114874887

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-N-(phenylcarbamoyl)pentanamide?
The IUPAC name of (3S)-3-methyl-N-(phenylcarbamoyl)pentanamide (CID 12951440) is (3S)-3-methyl-N-(phenylcarbamoyl)pentanamide.
What is the SMILES notation for (3S)-3-methyl-N-(phenylcarbamoyl)pentanamide?
The canonical SMILES for (3S)-3-methyl-N-(phenylcarbamoyl)pentanamide is CC[C@H](C)CC(=O)NC(=O)Nc1ccccc1.
What is the InChIKey of (3S)-3-methyl-N-(phenylcarbamoyl)pentanamide?
The InChIKey is ZLFGSMUYDYMPPP-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N2O2/c1-3-10(2)9-12(16)15-13(17)14-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H2,14,15,16,17)/t10-/m0/s1.
What are the key properties of (3S)-3-methyl-N-(phenylcarbamoyl)pentanamide?
(3S)-3-methyl-N-(phenylcarbamoyl)pentanamide has a molecular weight of 234.30 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-N-(phenylcarbamoyl)pentanamide is sourced from PubChem (CID 12951440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).