(2R)-2-phenylbutanamide

C10H13NO — CID 853457

IUPAC(2R)-2-phenylbutanamide
SMILESCC[C@@H](C(N)=O)c1ccccc1
InChIInChI=1S/C10H13NO/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H2,11,12)/t9-/m1/s1
InChIKeyUNFGQCCHVMMMRF-SECBINFHSA-N
MW163.22 g/mol
LogP1.67
Rot. Bonds3

About (2R)-2-phenylbutanamide

(2R)-2-phenylbutanamide (PubChem CID 853457) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (2R)-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-2-phenylbutanamide
PubChem CID853457
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(2R)-2-phenylbutanamide
SMILESCC[C@@H](C(N)=O)c1ccccc1
InChIInChI=1S/C10H13NO/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H2,11,12)/t9-/m1/s1
InChIKeyUNFGQCCHVMMMRF-SECBINFHSA-N
XLogP1.67
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenylbutanamide?
The IUPAC name of (2R)-2-phenylbutanamide (CID 853457) is (2R)-2-phenylbutanamide.
What is the SMILES notation for (2R)-2-phenylbutanamide?
The canonical SMILES for (2R)-2-phenylbutanamide is CC[C@@H](C(N)=O)c1ccccc1.
What is the InChIKey of (2R)-2-phenylbutanamide?
The InChIKey is UNFGQCCHVMMMRF-SECBINFHSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H2,11,12)/t9-/m1/s1.
What are the key properties of (2R)-2-phenylbutanamide?
(2R)-2-phenylbutanamide has a molecular weight of 163.22 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenylbutanamide is sourced from PubChem (CID 853457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).