N-(cyclohexylmethyl)-N-cyclopropyl-3-oxobutanamide

C14H23NO2 — CID 54876535

IUPACN-(cyclohexylmethyl)-N-cyclopropyl-3-oxobutanamide
SMILESCC(=O)CC(=O)N(CC1CCCCC1)C1CC1
InChIInChI=1S/C14H23NO2/c1-11(16)9-14(17)15(13-7-8-13)10-12-5-3-2-4-6-12/h12-13H,2-10H2,1H3
InChIKeyFQRLWGXIXCLYQZ-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.54
Rot. Bonds5

About N-(cyclohexylmethyl)-N-cyclopropyl-3-oxobutanamide

N-(cyclohexylmethyl)-N-cyclopropyl-3-oxobutanamide (PubChem CID 54876535) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-cyclopropyl-3-oxobutanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-cyclopropyl-3-oxobutanamide
PubChem CID54876535
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-(cyclohexylmethyl)-N-cyclopropyl-3-oxobutanamide
SMILESCC(=O)CC(=O)N(CC1CCCCC1)C1CC1
InChIInChI=1S/C14H23NO2/c1-11(16)9-14(17)15(13-7-8-13)10-12-5-3-2-4-6-12/h12-13H,2-10H2,1H3
InChIKeyFQRLWGXIXCLYQZ-UHFFFAOYSA-N
XLogP2.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclobutylmethyl)-N-cyclohexylacetamide
CID 91799072
N-cyclopentyl-N-(2-hydroxyethyl)-3-oxobutanamide
CID 60952245
6-[cyclohexylmethyl(cyclopropyl)amino]-6-oxohexanoic acid
CID 60949466
N-(cyclohexylmethyl)-N-cyclopropyl-2-(2-methoxyethylamino)acetamide
CID 79281659
2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-2-methylpropanamide
CID 61264857
propyl N-(cyclohexylmethyl)-N-cyclopropylcarbamate
CID 112738754
3-chloro-N-(cyclohexylmethyl)-N-cyclopropyl-2-methylpropanamide
CID 62728154
benzene;N-cyclohexyl-N-(cyclopropylmethyl)-3-hydroxypropanamide;ethane
CID 142880292
3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-3-hydroxyiminopropanamide
CID 77046090
2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-4-methylpentanamide
CID 54872866
2-(aminomethyl)-N-(cyclohexylmethyl)-N-cyclopropyl-2-ethylbutanamide
CID 115432159
2-[cyclohexylmethyl(methyl)amino]-N-cyclopentyl-N-cyclopropylacetamide
CID 112841265

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-cyclopropyl-3-oxobutanamide?
The IUPAC name of N-(cyclohexylmethyl)-N-cyclopropyl-3-oxobutanamide (CID 54876535) is N-(cyclohexylmethyl)-N-cyclopropyl-3-oxobutanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-N-cyclopropyl-3-oxobutanamide?
The canonical SMILES for N-(cyclohexylmethyl)-N-cyclopropyl-3-oxobutanamide is CC(=O)CC(=O)N(CC1CCCCC1)C1CC1.
What is the InChIKey of N-(cyclohexylmethyl)-N-cyclopropyl-3-oxobutanamide?
The InChIKey is FQRLWGXIXCLYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11(16)9-14(17)15(13-7-8-13)10-12-5-3-2-4-6-12/h12-13H,2-10H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-N-cyclopropyl-3-oxobutanamide?
N-(cyclohexylmethyl)-N-cyclopropyl-3-oxobutanamide has a molecular weight of 237.34 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-cyclopropyl-3-oxobutanamide is sourced from PubChem (CID 54876535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).