N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropanecarboxamide

C13H15NO3 — CID 94261270

IUPACN-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropanecarboxamide
SMILESCOc1ccc(C(=O)CNC(=O)C2CC2)cc1
InChIInChI=1S/C13H15NO3/c1-17-11-6-4-9(5-7-11)12(15)8-14-13(16)10-2-3-10/h4-7,10H,2-3,8H2,1H3,(H,14,16)
InChIKeyVDRBNYYPPAMXIS-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.40
Rot. Bonds5

About N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropanecarboxamide

N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropanecarboxamide (PubChem CID 94261270) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropanecarboxamide
PubChem CID94261270
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC NameN-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropanecarboxamide
SMILESCOc1ccc(C(=O)CNC(=O)C2CC2)cc1
InChIInChI=1S/C13H15NO3/c1-17-11-6-4-9(5-7-11)12(15)8-14-13(16)10-2-3-10/h4-7,10H,2-3,8H2,1H3,(H,14,16)
InChIKeyVDRBNYYPPAMXIS-UHFFFAOYSA-N
XLogP1.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]piperidine-4-carboxamide
CID 108805796
trans-(1R,2R)-2-cyclopropyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropane-1-carboxamide
CID 97328657
N-[2-(4-fluorophenyl)-2-oxoethyl]cyclopropanecarboxamide
CID 82114443
N-[2-[4-(2-methylpropyl)phenyl]-2-oxoethyl]cyclopropanecarboxamide
CID 94272830
N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 46434634
N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide
CID 8935452
N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide
CID 94262490
2-(cycloheptylamino)-1-(4-methoxyphenyl)ethanone
CID 2404150
N-[2-(4-methoxyphenyl)-2-oxoethyl]-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 135228535
N-phenacylcyclohexanecarboxamide
CID 54070217
1-(cyclopropanecarbonyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]piperidine-4-carboxamide
CID 55880213
2,2,3,3,3-pentafluoro-N-[2-(4-methoxyphenyl)-2-oxoethyl]propanamide
CID 584711

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropanecarboxamide (CID 94261270) is N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropanecarboxamide is COc1ccc(C(=O)CNC(=O)C2CC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropanecarboxamide?
The InChIKey is VDRBNYYPPAMXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-17-11-6-4-9(5-7-11)12(15)8-14-13(16)10-2-3-10/h4-7,10H,2-3,8H2,1H3,(H,14,16).
What are the key properties of N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropanecarboxamide?
N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropanecarboxamide has a molecular weight of 233.27 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropanecarboxamide is sourced from PubChem (CID 94261270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).