(3S)-3,4-dimethyl-N-phenylpentanamide

C13H19NO — CID 102017324

IUPAC(3S)-3,4-dimethyl-N-phenylpentanamide
SMILESCC(C)[C@@H](C)CC(=O)Nc1ccccc1
InChIInChI=1S/C13H19NO/c1-10(2)11(3)9-13(15)14-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,14,15)/t11-/m0/s1
InChIKeyZFYNTMJBVZIYNR-NSHDSACASA-N
MW205.30 g/mol
LogP3.31
Rot. Bonds4

About (3S)-3,4-dimethyl-N-phenylpentanamide

(3S)-3,4-dimethyl-N-phenylpentanamide (PubChem CID 102017324) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (3S)-3,4-dimethyl-N-phenylpentanamide.

Molecular Properties

Compound Name(3S)-3,4-dimethyl-N-phenylpentanamide
PubChem CID102017324
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(3S)-3,4-dimethyl-N-phenylpentanamide
SMILESCC(C)[C@@H](C)CC(=O)Nc1ccccc1
InChIInChI=1S/C13H19NO/c1-10(2)11(3)9-13(15)14-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,14,15)/t11-/m0/s1
InChIKeyZFYNTMJBVZIYNR-NSHDSACASA-N
XLogP3.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-chloro-N-phenylbutanamide
CID 94188827
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide
CID 17193970
4-hydroxy-3-oxo-N-phenylpentanamide
CID 163189970
2-[(4-anilino-4-oxobutan-2-yl)amino]propanoic acid
CID 114244259
3-amino-N-phenylpentanamide
CID 79006475
2-[(2-anilino-2-oxoethyl)-(2-methylpropyl)amino]-N-phenylacetamide
CID 17437841
(3R)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylbutanamide
CID 97018627
3-(2,2-difluoroethylamino)-N-phenylbutanamide
CID 114244264
4,4,4-trichloro-3-hydroxy-N-phenylbutanamide
CID 5000265
5-anilino-2-methyl-5-oxopentanoic acid
CID 2950289
(2R)-5-anilino-2-methyl-5-oxopentanoic acid
CID 976695
3-(2-methylbutylamino)-N-phenylbutanamide
CID 114244260

Frequently Asked Questions

What is the IUPAC name of (3S)-3,4-dimethyl-N-phenylpentanamide?
The IUPAC name of (3S)-3,4-dimethyl-N-phenylpentanamide (CID 102017324) is (3S)-3,4-dimethyl-N-phenylpentanamide.
What is the SMILES notation for (3S)-3,4-dimethyl-N-phenylpentanamide?
The canonical SMILES for (3S)-3,4-dimethyl-N-phenylpentanamide is CC(C)[C@@H](C)CC(=O)Nc1ccccc1.
What is the InChIKey of (3S)-3,4-dimethyl-N-phenylpentanamide?
The InChIKey is ZFYNTMJBVZIYNR-NSHDSACASA-N. The full InChI is InChI=1S/C13H19NO/c1-10(2)11(3)9-13(15)14-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,14,15)/t11-/m0/s1.
What are the key properties of (3S)-3,4-dimethyl-N-phenylpentanamide?
(3S)-3,4-dimethyl-N-phenylpentanamide has a molecular weight of 205.30 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,4-dimethyl-N-phenylpentanamide is sourced from PubChem (CID 102017324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).