(2S)-2-methyl-N-phenylmethoxybutanamide

C12H17NO2 — CID 93608488

IUPAC(2S)-2-methyl-N-phenylmethoxybutanamide
SMILESCC[C@H](C)C(=O)NOCC1=CC=CC=C1
InChIInChI=1S/C12H17NO2/c1-3-10(2)12(14)13-15-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyBAXQFDFCFWTGPI-JTQLQIEISA-N
MW207.27 g/mol
LogP2.50
Rot. Bonds5

About (2S)-2-methyl-N-phenylmethoxybutanamide

(2S)-2-methyl-N-phenylmethoxybutanamide (PubChem CID 93608488) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (2S)-2-methyl-N-phenylmethoxybutanamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-phenylmethoxybutanamide
PubChem CID93608488
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(2S)-2-methyl-N-phenylmethoxybutanamide
SMILESCC[C@H](C)C(=O)NOCC1=CC=CC=C1
InChIInChI=1S/C12H17NO2/c1-3-10(2)12(14)13-15-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyBAXQFDFCFWTGPI-JTQLQIEISA-N
XLogP2.50
TPSA38.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity188

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-phenylmethoxybutanamide?
The IUPAC name of (2S)-2-methyl-N-phenylmethoxybutanamide (CID 93608488) is (2S)-2-methyl-N-phenylmethoxybutanamide.
What is the SMILES notation for (2S)-2-methyl-N-phenylmethoxybutanamide?
The canonical SMILES for (2S)-2-methyl-N-phenylmethoxybutanamide is CC[C@H](C)C(=O)NOCC1=CC=CC=C1.
What is the InChIKey of (2S)-2-methyl-N-phenylmethoxybutanamide?
The InChIKey is BAXQFDFCFWTGPI-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-10(2)12(14)13-15-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-2-methyl-N-phenylmethoxybutanamide?
(2S)-2-methyl-N-phenylmethoxybutanamide has a molecular weight of 207.27 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-phenylmethoxybutanamide is sourced from PubChem (CID 93608488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).