2-cyano-N,3-dicyclohexyl-3-oxopropanamide

C16H24N2O2 — CID 47052901

IUPAC2-cyano-N,3-dicyclohexyl-3-oxopropanamide
SMILESN#CC(C(=O)NC1CCCCC1)C(=O)C1CCCCC1
InChIInChI=1S/C16H24N2O2/c17-11-14(15(19)12-7-3-1-4-8-12)16(20)18-13-9-5-2-6-10-13/h12-14H,1-10H2,(H,18,20)
InChIKeyOOLBCRMNZNROFM-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.72
Rot. Bonds4

About 2-cyano-N,3-dicyclohexyl-3-oxopropanamide

2-cyano-N,3-dicyclohexyl-3-oxopropanamide (PubChem CID 47052901) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-cyano-N,3-dicyclohexyl-3-oxopropanamide.

Molecular Properties

Compound Name2-cyano-N,3-dicyclohexyl-3-oxopropanamide
PubChem CID47052901
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-cyano-N,3-dicyclohexyl-3-oxopropanamide
SMILESN#CC(C(=O)NC1CCCCC1)C(=O)C1CCCCC1
InChIInChI=1S/C16H24N2O2/c17-11-14(15(19)12-7-3-1-4-8-12)16(20)18-13-9-5-2-6-10-13/h12-14H,1-10H2,(H,18,20)
InChIKeyOOLBCRMNZNROFM-UHFFFAOYSA-N
XLogP2.72
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-cyano-N,3-dicyclohexyl-3-oxopropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-cyano-N,3-dicyclohexyl-3-oxopropanamide
CID 94189765
(2R)-2-cyano-3-cyclooctyl-N-methyl-3-oxopropanamide
CID 99812743
(2S)-2-cyano-N-cyclopentyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-oxopropanamide
CID 98765344
tert-butyl (3S)-3-[(2R)-2-cyano-3-(cyclohexylamino)-3-oxopropanoyl]piperidine-1-carboxylate
CID 94365140
N-[4-cyano-5-(cyclohexylamino)-3,5-dioxopentan-2-yl]cyclohexanecarboxamide
CID 60554304
(2S)-2-cyano-3-[(4R)-3-(cyclobutanecarbonyl)-1,3-thiazolidin-4-yl]-N-cyclopentyl-3-oxopropanamide
CID 98210345
2-cyano-N-cyclohexyl-3-(4-fluorophenyl)-3-oxopropanamide
CID 51086390
(2R)-N-(2-chlorophenyl)-2-cyano-3-cyclohexyl-3-oxopropanamide
CID 98450230
(2R)-2-cyano-N-cyclohexyl-3-(3,5-dichlorophenyl)-3-oxopropanamide
CID 98431549
(2R)-2-cyano-N-cyclohexyl-3-oxo-4-(2-oxoazocan-1-yl)butanamide
CID 98361614
N,N'-di(cycloheptyl)-2,3-dihydroxybutanediamide
CID 141089668
2-cyano-3-cyclopentyl-N-(3-methylphenyl)-3-oxopropanamide
CID 47275634

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N,3-dicyclohexyl-3-oxopropanamide?
The IUPAC name of 2-cyano-N,3-dicyclohexyl-3-oxopropanamide (CID 47052901) is 2-cyano-N,3-dicyclohexyl-3-oxopropanamide.
What is the SMILES notation for 2-cyano-N,3-dicyclohexyl-3-oxopropanamide?
The canonical SMILES for 2-cyano-N,3-dicyclohexyl-3-oxopropanamide is N#CC(C(=O)NC1CCCCC1)C(=O)C1CCCCC1.
What is the InChIKey of 2-cyano-N,3-dicyclohexyl-3-oxopropanamide?
The InChIKey is OOLBCRMNZNROFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c17-11-14(15(19)12-7-3-1-4-8-12)16(20)18-13-9-5-2-6-10-13/h12-14H,1-10H2,(H,18,20).
What are the key properties of 2-cyano-N,3-dicyclohexyl-3-oxopropanamide?
2-cyano-N,3-dicyclohexyl-3-oxopropanamide has a molecular weight of 276.38 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N,3-dicyclohexyl-3-oxopropanamide is sourced from PubChem (CID 47052901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).