N-[(2S)-4-phenylbutan-2-yl]acetamide

C12H17NO — CID 6933208

IUPACN-[(2S)-4-phenylbutan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)CCc1ccccc1
InChIInChI=1S/C12H17NO/c1-10(13-11(2)14)8-9-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyKQSKZCWLCIETEF-JTQLQIEISA-N
MW191.27 g/mol
LogP2.14
Rot. Bonds4

About N-[(2S)-4-phenylbutan-2-yl]acetamide

N-[(2S)-4-phenylbutan-2-yl]acetamide (PubChem CID 6933208) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-[(2S)-4-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-4-phenylbutan-2-yl]acetamide
PubChem CID6933208
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-[(2S)-4-phenylbutan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)CCc1ccccc1
InChIInChI=1S/C12H17NO/c1-10(13-11(2)14)8-9-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyKQSKZCWLCIETEF-JTQLQIEISA-N
XLogP2.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
(2R)-2-amino-N-(4-phenylbutan-2-yl)propanamide
CID 14620809
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062
methyl N-[(2S)-4-phenylbutan-2-yl]carbamate
CID 888027
2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylacetamide
CID 93035071
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
N-(4-phenylbutan-2-yl)-2-sulfanylacetamide
CID 60650069
(2S)-2-(methylamino)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 143330073
2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 51374320
4-oxo-4-[[(2S)-4-phenylbutan-2-yl]amino]butanoate
CID 2223864
(2R)-2-phenoxy-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 807864
ethane;formic acid;N-(1-phenylpropan-2-yl)acetamide
CID 177356857

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-phenylbutan-2-yl]acetamide?
The IUPAC name of N-[(2S)-4-phenylbutan-2-yl]acetamide (CID 6933208) is N-[(2S)-4-phenylbutan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-4-phenylbutan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-4-phenylbutan-2-yl]acetamide is CC(=O)N[C@@H](C)CCc1ccccc1.
What is the InChIKey of N-[(2S)-4-phenylbutan-2-yl]acetamide?
The InChIKey is KQSKZCWLCIETEF-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17NO/c1-10(13-11(2)14)8-9-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,13,14)/t10-/m0/s1.
What are the key properties of N-[(2S)-4-phenylbutan-2-yl]acetamide?
N-[(2S)-4-phenylbutan-2-yl]acetamide has a molecular weight of 191.27 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 6933208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).