N,5-dicyclohexyl-2-methyl-5-oxopent-3-enamide

C18H29NO2 — CID 57258424

IUPACN,5-dicyclohexyl-2-methyl-5-oxopent-3-enamide
SMILESCC(C=CC(=O)C1CCCCC1)C(=O)NC1CCCCC1
InChIInChI=1S/C18H29NO2/c1-14(18(21)19-16-10-6-3-7-11-16)12-13-17(20)15-8-4-2-5-9-15/h12-16H,2-11H2,1H3,(H,19,21)
InChIKeyRGWOHOKSAOZKDV-UHFFFAOYSA-N
MW291.43 g/mol
LogP3.78
Rot. Bonds5

About N,5-dicyclohexyl-2-methyl-5-oxopent-3-enamide

N,5-dicyclohexyl-2-methyl-5-oxopent-3-enamide (PubChem CID 57258424) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is N,5-dicyclohexyl-2-methyl-5-oxopent-3-enamide.

Molecular Properties

Compound NameN,5-dicyclohexyl-2-methyl-5-oxopent-3-enamide
PubChem CID57258424
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC NameN,5-dicyclohexyl-2-methyl-5-oxopent-3-enamide
SMILESCC(C=CC(=O)C1CCCCC1)C(=O)NC1CCCCC1
InChIInChI=1S/C18H29NO2/c1-14(18(21)19-16-10-6-3-7-11-16)12-13-17(20)15-8-4-2-5-9-15/h12-16H,2-11H2,1H3,(H,19,21)
InChIKeyRGWOHOKSAOZKDV-UHFFFAOYSA-N
XLogP3.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N,5-dicyclohexyl-2-methyl-5-oxopent-3-enamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,5-dicyclohexyl-2-methyl-5-oxopent-3-enamide?
The IUPAC name of N,5-dicyclohexyl-2-methyl-5-oxopent-3-enamide (CID 57258424) is N,5-dicyclohexyl-2-methyl-5-oxopent-3-enamide.
What is the SMILES notation for N,5-dicyclohexyl-2-methyl-5-oxopent-3-enamide?
The canonical SMILES for N,5-dicyclohexyl-2-methyl-5-oxopent-3-enamide is CC(C=CC(=O)C1CCCCC1)C(=O)NC1CCCCC1.
What is the InChIKey of N,5-dicyclohexyl-2-methyl-5-oxopent-3-enamide?
The InChIKey is RGWOHOKSAOZKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14(18(21)19-16-10-6-3-7-11-16)12-13-17(20)15-8-4-2-5-9-15/h12-16H,2-11H2,1H3,(H,19,21).
What are the key properties of N,5-dicyclohexyl-2-methyl-5-oxopent-3-enamide?
N,5-dicyclohexyl-2-methyl-5-oxopent-3-enamide has a molecular weight of 291.43 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dicyclohexyl-2-methyl-5-oxopent-3-enamide is sourced from PubChem (CID 57258424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).