N-(2-methoxyphenyl)-N-methyl-3-oxopentanamide

C13H17NO3 — CID 59676019

IUPACN-(2-methoxyphenyl)-N-methyl-3-oxopentanamide
SMILESCCC(=O)CC(=O)N(C)c1ccccc1OC
InChIInChI=1S/C13H17NO3/c1-4-10(15)9-13(16)14(2)11-7-5-6-8-12(11)17-3/h5-8H,4,9H2,1-3H3
InChIKeyAQISTPZGQVLRAZ-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.03
Rot. Bonds5

About N-(2-methoxyphenyl)-N-methyl-3-oxopentanamide

N-(2-methoxyphenyl)-N-methyl-3-oxopentanamide (PubChem CID 59676019) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-N-methyl-3-oxopentanamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-N-methyl-3-oxopentanamide
PubChem CID59676019
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-(2-methoxyphenyl)-N-methyl-3-oxopentanamide
SMILESCCC(=O)CC(=O)N(C)c1ccccc1OC
InChIInChI=1S/C13H17NO3/c1-4-10(15)9-13(16)14(2)11-7-5-6-8-12(11)17-3/h5-8H,4,9H2,1-3H3
InChIKeyAQISTPZGQVLRAZ-UHFFFAOYSA-N
XLogP2.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2-methoxyphenyl)-N-methylpropanamide
CID 28795107
3-amino-N-(2-methoxyphenyl)-N,3-dimethylbutanamide
CID 64678245
N-(2-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78931832
6-acetamido-N-(2-methoxyphenyl)-N-methylhexanamide
CID 47063391
2-(azetidin-3-yl)-N-(2-methoxyphenyl)-N-methylacetamide
CID 64609788
2-ethyl-2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid
CID 79815181
N-(2-methoxyphenyl)-N-methyl-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611367
3,5-dibromo-N-(2-methoxyphenyl)-N-methylbenzamide
CID 103908080
(2S)-2-amino-N-(2-methoxyphenyl)-N-methyl-2-phenylacetamide
CID 104897769
4-ethyl-N-(2-methoxyphenyl)-N-methylpiperidine-4-carboxamide
CID 63129012
2-carbamothioyl-2-ethyl-N-(2-methoxyphenyl)-N-methylbutanamide
CID 62002449
(2S)-2-amino-N-(2-methoxyphenyl)-N-methylhexanamide
CID 103831499

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-N-methyl-3-oxopentanamide?
The IUPAC name of N-(2-methoxyphenyl)-N-methyl-3-oxopentanamide (CID 59676019) is N-(2-methoxyphenyl)-N-methyl-3-oxopentanamide.
What is the SMILES notation for N-(2-methoxyphenyl)-N-methyl-3-oxopentanamide?
The canonical SMILES for N-(2-methoxyphenyl)-N-methyl-3-oxopentanamide is CCC(=O)CC(=O)N(C)c1ccccc1OC.
What is the InChIKey of N-(2-methoxyphenyl)-N-methyl-3-oxopentanamide?
The InChIKey is AQISTPZGQVLRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-4-10(15)9-13(16)14(2)11-7-5-6-8-12(11)17-3/h5-8H,4,9H2,1-3H3.
What are the key properties of N-(2-methoxyphenyl)-N-methyl-3-oxopentanamide?
N-(2-methoxyphenyl)-N-methyl-3-oxopentanamide has a molecular weight of 235.28 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-N-methyl-3-oxopentanamide is sourced from PubChem (CID 59676019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).