2-(4-cyclohexylphenyl)-N-cyclopropyl-2-oxoacetamide

C17H21NO2 — CID 94281370

IUPAC2-(4-cyclohexylphenyl)-N-cyclopropyl-2-oxoacetamide
SMILESO=C(NC1CC1)C(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H21NO2/c19-16(17(20)18-15-10-11-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-9,12,15H,1-5,10-11H2,(H,18,20)
InChIKeyNGRWTMWCJNVFBX-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.20
Rot. Bonds4

About 2-(4-cyclohexylphenyl)-N-cyclopropyl-2-oxoacetamide

2-(4-cyclohexylphenyl)-N-cyclopropyl-2-oxoacetamide (PubChem CID 94281370) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(4-cyclohexylphenyl)-N-cyclopropyl-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-cyclohexylphenyl)-N-cyclopropyl-2-oxoacetamide
PubChem CID94281370
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-(4-cyclohexylphenyl)-N-cyclopropyl-2-oxoacetamide
SMILESO=C(NC1CC1)C(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H21NO2/c19-16(17(20)18-15-10-11-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-9,12,15H,1-5,10-11H2,(H,18,20)
InChIKeyNGRWTMWCJNVFBX-UHFFFAOYSA-N
XLogP3.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-cyclohexylphenyl)-2-oxo-N-propan-2-ylacetamide
CID 94282738
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N-cyclohexyl-2-oxo-2-phenylacetamide
CID 11436176
N-cyclohexyl-2-(4-ethylphenyl)-2-oxoacetamide
CID 82121266
2-(4-cyclohexylphenyl)-2-oxoacetyl chloride
CID 11107786
N-cyclohexyl-2-(4-methoxyphenyl)-2-oxoacetamide
CID 11414317
2-(4-cyanophenyl)-N-cyclohexyl-2-oxoacetamide
CID 24853690
2-(4-tert-butylphenyl)-N-cyclopentyl-2-oxoacetamide
CID 47418183
[3,5-bis(4-cyclohexylbenzoyl)phenyl]-(4-cyclohexylphenyl)methanone
CID 3766004
2-(4-cyclohexylbenzoyl)prop-2-enoic acid
CID 620989
methyl 4-[3-(4-cyclohexylphenyl)-3-oxopropanoyl]benzoate
CID 67375575
(4-bromophenyl)-(4-cyclohexylphenyl)methanone
CID 43338426

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylphenyl)-N-cyclopropyl-2-oxoacetamide?
The IUPAC name of 2-(4-cyclohexylphenyl)-N-cyclopropyl-2-oxoacetamide (CID 94281370) is 2-(4-cyclohexylphenyl)-N-cyclopropyl-2-oxoacetamide.
What is the SMILES notation for 2-(4-cyclohexylphenyl)-N-cyclopropyl-2-oxoacetamide?
The canonical SMILES for 2-(4-cyclohexylphenyl)-N-cyclopropyl-2-oxoacetamide is O=C(NC1CC1)C(=O)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 2-(4-cyclohexylphenyl)-N-cyclopropyl-2-oxoacetamide?
The InChIKey is NGRWTMWCJNVFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c19-16(17(20)18-15-10-11-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-9,12,15H,1-5,10-11H2,(H,18,20).
What are the key properties of 2-(4-cyclohexylphenyl)-N-cyclopropyl-2-oxoacetamide?
2-(4-cyclohexylphenyl)-N-cyclopropyl-2-oxoacetamide has a molecular weight of 271.36 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylphenyl)-N-cyclopropyl-2-oxoacetamide is sourced from PubChem (CID 94281370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).