3-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]-2-oxopropanamide

C15H19NO3 — CID 158233978

IUPAC3-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]-2-oxopropanamide
SMILESCOc1ccc(CCNC(=O)C(=O)CC2CC2)cc1
InChIInChI=1S/C15H19NO3/c1-19-13-6-4-11(5-7-13)8-9-16-15(18)14(17)10-12-2-3-12/h4-7,12H,2-3,8-10H2,1H3,(H,16,18)
InChIKeyGESRFKJZCQFBAF-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.72
Rot. Bonds7

About 3-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]-2-oxopropanamide

3-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]-2-oxopropanamide (PubChem CID 158233978) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]-2-oxopropanamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]-2-oxopropanamide
PubChem CID158233978
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name3-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]-2-oxopropanamide
SMILESCOc1ccc(CCNC(=O)C(=O)CC2CC2)cc1
InChIInChI=1S/C15H19NO3/c1-19-13-6-4-11(5-7-13)8-9-16-15(18)14(17)10-12-2-3-12/h4-7,12H,2-3,8-10H2,1H3,(H,16,18)
InChIKeyGESRFKJZCQFBAF-UHFFFAOYSA-N
XLogP1.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119673168
2-(1-cyclopropylpiperidin-4-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 110754765
4-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 106133202
N'-[2-(dimethylamino)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 44996184
N-[2-(4-methoxyphenyl)ethyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167780706
N-(3-ethoxypropyl)-N'-[2-(4-methoxyphenyl)ethyl]oxamide
CID 108505219
4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672169
1-N,1-N'-bis[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977727
N'-(2,2-dimethoxyethyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 44997779
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] cyclopropanecarboxylate
CID 2376869
1-[(E)-2-cyclopentylethenyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108911678
N-[2-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371395

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]-2-oxopropanamide?
The IUPAC name of 3-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]-2-oxopropanamide (CID 158233978) is 3-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]-2-oxopropanamide.
What is the SMILES notation for 3-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]-2-oxopropanamide?
The canonical SMILES for 3-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]-2-oxopropanamide is COc1ccc(CCNC(=O)C(=O)CC2CC2)cc1.
What is the InChIKey of 3-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]-2-oxopropanamide?
The InChIKey is GESRFKJZCQFBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-19-13-6-4-11(5-7-13)8-9-16-15(18)14(17)10-12-2-3-12/h4-7,12H,2-3,8-10H2,1H3,(H,16,18).
What are the key properties of 3-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]-2-oxopropanamide?
3-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]-2-oxopropanamide has a molecular weight of 261.32 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]-2-oxopropanamide is sourced from PubChem (CID 158233978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).