(2R)-N-methoxy-N,2-dimethyl-5-oxo-5-phenylpentanamide

C14H19NO3 — CID 161216773

IUPAC(2R)-N-methoxy-N,2-dimethyl-5-oxo-5-phenylpentanamide
SMILESCON(C)C(=O)[C@H](C)CCC(=O)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-11(14(17)15(2)18-3)9-10-13(16)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3/t11-/m1/s1
InChIKeyQHTWHQDBEOYTRI-LLVKDONJSA-N
MW249.31 g/mol
LogP2.31
Rot. Bonds6

About (2R)-N-methoxy-N,2-dimethyl-5-oxo-5-phenylpentanamide

(2R)-N-methoxy-N,2-dimethyl-5-oxo-5-phenylpentanamide (PubChem CID 161216773) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2R)-N-methoxy-N,2-dimethyl-5-oxo-5-phenylpentanamide.

Molecular Properties

Compound Name(2R)-N-methoxy-N,2-dimethyl-5-oxo-5-phenylpentanamide
PubChem CID161216773
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(2R)-N-methoxy-N,2-dimethyl-5-oxo-5-phenylpentanamide
SMILESCON(C)C(=O)[C@H](C)CCC(=O)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-11(14(17)15(2)18-3)9-10-13(16)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3/t11-/m1/s1
InChIKeyQHTWHQDBEOYTRI-LLVKDONJSA-N
XLogP2.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-oxo-5-phenylpentanoic acid
CID 13462808
4-chloro-1-phenylpentan-1-one
CID 14472970
dimethyl 2-(3-oxo-3-phenylpropyl)propanedioate
CID 13380846
benzyl (3R)-4-[methoxy(methyl)amino]-3-methyl-4-oxobutanoate
CID 58120009
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylpentanoate
CID 15624897
(2S)-N-methoxy-N-methyl-2-phenoxypropanamide
CID 95297395
N-methoxy-N-methyl-3-oxo-2,3-diphenylpropanamide
CID 166438028
N-methoxy-N,4-dimethyl-2-phenylpentanamide
CID 22270428
3-methoxy-1-phenylpropan-1-one
CID 10942788
3-(N-methylanilino)-1-phenylpropan-1-one
CID 15652804
6-methyl-1-phenylheptan-1-one
CID 64505975
benzyl (2R)-6-[methoxy(methyl)amino]-2-methyl-6-oxohexanoate
CID 163255717

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methoxy-N,2-dimethyl-5-oxo-5-phenylpentanamide?
The IUPAC name of (2R)-N-methoxy-N,2-dimethyl-5-oxo-5-phenylpentanamide (CID 161216773) is (2R)-N-methoxy-N,2-dimethyl-5-oxo-5-phenylpentanamide.
What is the SMILES notation for (2R)-N-methoxy-N,2-dimethyl-5-oxo-5-phenylpentanamide?
The canonical SMILES for (2R)-N-methoxy-N,2-dimethyl-5-oxo-5-phenylpentanamide is CON(C)C(=O)[C@H](C)CCC(=O)c1ccccc1.
What is the InChIKey of (2R)-N-methoxy-N,2-dimethyl-5-oxo-5-phenylpentanamide?
The InChIKey is QHTWHQDBEOYTRI-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11(14(17)15(2)18-3)9-10-13(16)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3/t11-/m1/s1.
What are the key properties of (2R)-N-methoxy-N,2-dimethyl-5-oxo-5-phenylpentanamide?
(2R)-N-methoxy-N,2-dimethyl-5-oxo-5-phenylpentanamide has a molecular weight of 249.31 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methoxy-N,2-dimethyl-5-oxo-5-phenylpentanamide is sourced from PubChem (CID 161216773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).