N-[2-[4-(2-methylpropyl)phenyl]-2-oxoethyl]cyclopropanecarboxamide

C16H21NO2 — CID 94272830

IUPACN-[2-[4-(2-methylpropyl)phenyl]-2-oxoethyl]cyclopropanecarboxamide
SMILESCC(C)Cc1ccc(C(=O)CNC(=O)C2CC2)cc1
InChIInChI=1S/C16H21NO2/c1-11(2)9-12-3-5-13(6-4-12)15(18)10-17-16(19)14-7-8-14/h3-6,11,14H,7-10H2,1-2H3,(H,17,19)
InChIKeyBQKFWQMLEOFBII-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.59
Rot. Bonds6

About N-[2-[4-(2-methylpropyl)phenyl]-2-oxoethyl]cyclopropanecarboxamide

N-[2-[4-(2-methylpropyl)phenyl]-2-oxoethyl]cyclopropanecarboxamide (PubChem CID 94272830) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[2-[4-(2-methylpropyl)phenyl]-2-oxoethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-methylpropyl)phenyl]-2-oxoethyl]cyclopropanecarboxamide
PubChem CID94272830
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[2-[4-(2-methylpropyl)phenyl]-2-oxoethyl]cyclopropanecarboxamide
SMILESCC(C)Cc1ccc(C(=O)CNC(=O)C2CC2)cc1
InChIInChI=1S/C16H21NO2/c1-11(2)9-12-3-5-13(6-4-12)15(18)10-17-16(19)14-7-8-14/h3-6,11,14H,7-10H2,1-2H3,(H,17,19)
InChIKeyBQKFWQMLEOFBII-UHFFFAOYSA-N
XLogP2.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluorophenyl)-2-oxoethyl]cyclopropanecarboxamide
CID 82114443
N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropanecarboxamide
CID 94261270
N'-(cyclohexanecarbonyl)-4-(2-methylpropyl)benzohydrazide
CID 8639719
N-[2-[1-(4-bromophenyl)propan-2-ylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 47288217
N-phenacylcyclohexanecarboxamide
CID 54070217
4-[[4-(2-methylpropyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 166193453
N-[2-[[N'-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111298621
N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentanecarboxamide
CID 112791720
N-[4-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]-4-oxobutyl]cyclopropanecarboxamide
CID 55677698
1-(1-cyclopentylethenyl)-4-(2-methylpropyl)benzene
CID 178141124
4,4-difluoro-1-[4-(2-methylpropyl)phenyl]butane-1,3-dione
CID 43118308
1-[4-[4-(2-methylpropyl)phenyl]-4-oxobutanoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 55690688

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methylpropyl)phenyl]-2-oxoethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[4-(2-methylpropyl)phenyl]-2-oxoethyl]cyclopropanecarboxamide (CID 94272830) is N-[2-[4-(2-methylpropyl)phenyl]-2-oxoethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[4-(2-methylpropyl)phenyl]-2-oxoethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[4-(2-methylpropyl)phenyl]-2-oxoethyl]cyclopropanecarboxamide is CC(C)Cc1ccc(C(=O)CNC(=O)C2CC2)cc1.
What is the InChIKey of N-[2-[4-(2-methylpropyl)phenyl]-2-oxoethyl]cyclopropanecarboxamide?
The InChIKey is BQKFWQMLEOFBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-11(2)9-12-3-5-13(6-4-12)15(18)10-17-16(19)14-7-8-14/h3-6,11,14H,7-10H2,1-2H3,(H,17,19).
What are the key properties of N-[2-[4-(2-methylpropyl)phenyl]-2-oxoethyl]cyclopropanecarboxamide?
N-[2-[4-(2-methylpropyl)phenyl]-2-oxoethyl]cyclopropanecarboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methylpropyl)phenyl]-2-oxoethyl]cyclopropanecarboxamide is sourced from PubChem (CID 94272830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).