(2S)-N,2-dimethoxy-N-methyl-3-phenylpropanamide

C12H17NO3 — CID 10846731

IUPAC(2S)-N,2-dimethoxy-N-methyl-3-phenylpropanamide
SMILESCO[C@@H](Cc1ccccc1)C(=O)N(C)OC
InChIInChI=1S/C12H17NO3/c1-13(16-3)12(14)11(15-2)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3/t11-/m0/s1
InChIKeyDFOHHZAZWIGGJL-NSHDSACASA-N
MW223.27 g/mol
LogP1.26
Rot. Bonds5

About (2S)-N,2-dimethoxy-N-methyl-3-phenylpropanamide

(2S)-N,2-dimethoxy-N-methyl-3-phenylpropanamide (PubChem CID 10846731) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is (2S)-N,2-dimethoxy-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N,2-dimethoxy-N-methyl-3-phenylpropanamide
PubChem CID10846731
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name(2S)-N,2-dimethoxy-N-methyl-3-phenylpropanamide
SMILESCO[C@@H](Cc1ccccc1)C(=O)N(C)OC
InChIInChI=1S/C12H17NO3/c1-13(16-3)12(14)11(15-2)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3/t11-/m0/s1
InChIKeyDFOHHZAZWIGGJL-NSHDSACASA-N
XLogP1.26
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.26
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-methoxy-N,N-dimethyl-2-phenylacetamide
CID 15642516
2-hydroxy-N-methoxy-N-methyl-2-phenylacetamide
CID 15933071
2-benzyl-2-fluoro-N,6-dimethoxy-N-methylhexanamide
CID 177851357
14-Benzyl-7,12-dimethyl-1,4-dioxa-7,12-diazacyclotetradecane-2,6,13-trione
CID 558622
N-Methyl-N-methoxy-2-hydroxy-3-phenylpropanamide
CID 22910157
2-hydroxy-N-methoxy-N-methyl-4-phenylbutanamide
CID 89351884
(s)-2-(benzyloxy)-N-methoxy-N-methylpropanamide
CID 95356922
(2R)-2-hydroxy-N,N-dimethyl-4-phenylbutanamide
CID 134992834
2-methoxy-N-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 69043046
Benzenepropanamide, alpha-hydroxy-N-methyl-
CID 562964
(2R)-2-hydroxy-N-methoxy-N-methyl-2-phenylacetamide
CID 21576959
2-hydroxy-3-phenyl-N,N-di(propan-2-yl)propanamide
CID 72815136

Frequently Asked Questions

What is the IUPAC name of (2S)-N,2-dimethoxy-N-methyl-3-phenylpropanamide?
The IUPAC name of (2S)-N,2-dimethoxy-N-methyl-3-phenylpropanamide (CID 10846731) is (2S)-N,2-dimethoxy-N-methyl-3-phenylpropanamide.
What is the SMILES notation for (2S)-N,2-dimethoxy-N-methyl-3-phenylpropanamide?
The canonical SMILES for (2S)-N,2-dimethoxy-N-methyl-3-phenylpropanamide is CO[C@@H](Cc1ccccc1)C(=O)N(C)OC.
What is the InChIKey of (2S)-N,2-dimethoxy-N-methyl-3-phenylpropanamide?
The InChIKey is DFOHHZAZWIGGJL-NSHDSACASA-N. The full InChI is InChI=1S/C12H17NO3/c1-13(16-3)12(14)11(15-2)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-N,2-dimethoxy-N-methyl-3-phenylpropanamide?
(2S)-N,2-dimethoxy-N-methyl-3-phenylpropanamide has a molecular weight of 223.27 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,2-dimethoxy-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 10846731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).