N-methoxy-N-methyl-3-phenylbutanamide

C12H17NO2 — CID 22612044

IUPACN-methoxy-N-methyl-3-phenylbutanamide
SMILESCON(C)C(=O)CC(C)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-10(9-12(14)13(2)15-3)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyIUEGATQPXGSFJZ-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.20
Rot. Bonds4

About N-methoxy-N-methyl-3-phenylbutanamide

N-methoxy-N-methyl-3-phenylbutanamide (PubChem CID 22612044) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-methoxy-N-methyl-3-phenylbutanamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-3-phenylbutanamide
PubChem CID22612044
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-methoxy-N-methyl-3-phenylbutanamide
SMILESCON(C)C(=O)CC(C)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-10(9-12(14)13(2)15-3)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyIUEGATQPXGSFJZ-UHFFFAOYSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl N-[3-[methoxy(methyl)amino]-3-oxo-1-phenylpropyl]carbamate
CID 143481494
N-methoxy-N,3-dimethylbutanamide
CID 10975620
N-methoxy-N,4-dimethyl-2-phenylpentanamide
CID 22270428
(3S)-3-phenylbutanoate
CID 6950118
3-hydroxy-N-methoxy-N-methylbutanamide
CID 73159357
2-(dibenzylamino)-N-methoxy-N-methylacetamide
CID 15314218
3-(2-bromophenyl)-3-hydroxy-N-methoxy-N-methylpropanamide
CID 164892784
(3S)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide
CID 9438680
benzyl N-[2-hydroxy-4-[methoxy(methyl)amino]-4-oxobutyl]carbamate
CID 172915842
N-(3-amino-4-methylpentyl)-N-methyl-3-phenylbutanamide;hydrochloride
CID 119658945
N-methoxy-N-methyl-2-(N-methylanilino)acetamide
CID 121220639
N-benzyl-N-(2-hydroxyethyl)-3-phenylbutanamide
CID 110878165

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-3-phenylbutanamide?
The IUPAC name of N-methoxy-N-methyl-3-phenylbutanamide (CID 22612044) is N-methoxy-N-methyl-3-phenylbutanamide.
What is the SMILES notation for N-methoxy-N-methyl-3-phenylbutanamide?
The canonical SMILES for N-methoxy-N-methyl-3-phenylbutanamide is CON(C)C(=O)CC(C)c1ccccc1.
What is the InChIKey of N-methoxy-N-methyl-3-phenylbutanamide?
The InChIKey is IUEGATQPXGSFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-10(9-12(14)13(2)15-3)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3.
What are the key properties of N-methoxy-N-methyl-3-phenylbutanamide?
N-methoxy-N-methyl-3-phenylbutanamide has a molecular weight of 207.27 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-3-phenylbutanamide is sourced from PubChem (CID 22612044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).