(E)-3-cyclohexyl-4-hydroxy-N,N-dimethylhept-2-enamide

C15H27NO2 — CID 10083625

IUPAC(E)-3-cyclohexyl-4-hydroxy-N,N-dimethylhept-2-enamide
SMILESCCCC(O)/C(=C/C(=O)N(C)C)C1CCCCC1
InChIInChI=1S/C15H27NO2/c1-4-8-14(17)13(11-15(18)16(2)3)12-9-6-5-7-10-12/h11-12,14,17H,4-10H2,1-3H3/b13-11+
InChIKeyXVJHLSXYIDNDGO-ACCUITESSA-N
MW253.39 g/mol
LogP2.74
Rot. Bonds5

About (E)-3-cyclohexyl-4-hydroxy-N,N-dimethylhept-2-enamide

(E)-3-cyclohexyl-4-hydroxy-N,N-dimethylhept-2-enamide (PubChem CID 10083625) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is (E)-3-cyclohexyl-4-hydroxy-N,N-dimethylhept-2-enamide.

Molecular Properties

Compound Name(E)-3-cyclohexyl-4-hydroxy-N,N-dimethylhept-2-enamide
PubChem CID10083625
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name(E)-3-cyclohexyl-4-hydroxy-N,N-dimethylhept-2-enamide
SMILESCCCC(O)/C(=C/C(=O)N(C)C)C1CCCCC1
InChIInChI=1S/C15H27NO2/c1-4-8-14(17)13(11-15(18)16(2)3)12-9-6-5-7-10-12/h11-12,14,17H,4-10H2,1-3H3/b13-11+
InChIKeyXVJHLSXYIDNDGO-ACCUITESSA-N
XLogP2.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-cyclohexyl-4-hydroxy-N,N-dimethylhept-2-enamide 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

(E)-3-(1-hydroxycyclohexyl)-N,N-dimethylnon-2-enamide
CID 10379004
(E)-3-(1-hydroxybutyl)-N,N-dimethylnon-2-enamide
CID 10060932
(E)-3,4-dicyclohexyl-4-hydroxy-N,N-dimethylbut-2-enamide
CID 101613957
(E)-3-[cyclohexyl(hydroxy)methyl]-N,N-dimethylnon-2-enamide
CID 101613972
(E)-3-(1-hydroxyprop-2-enyl)-N,N-dimethylnon-2-enamide
CID 101613973

Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclohexyl-4-hydroxy-N,N-dimethylhept-2-enamide?
The IUPAC name of (E)-3-cyclohexyl-4-hydroxy-N,N-dimethylhept-2-enamide (CID 10083625) is (E)-3-cyclohexyl-4-hydroxy-N,N-dimethylhept-2-enamide.
What is the SMILES notation for (E)-3-cyclohexyl-4-hydroxy-N,N-dimethylhept-2-enamide?
The canonical SMILES for (E)-3-cyclohexyl-4-hydroxy-N,N-dimethylhept-2-enamide is CCCC(O)/C(=C/C(=O)N(C)C)C1CCCCC1.
What is the InChIKey of (E)-3-cyclohexyl-4-hydroxy-N,N-dimethylhept-2-enamide?
The InChIKey is XVJHLSXYIDNDGO-ACCUITESSA-N. The full InChI is InChI=1S/C15H27NO2/c1-4-8-14(17)13(11-15(18)16(2)3)12-9-6-5-7-10-12/h11-12,14,17H,4-10H2,1-3H3/b13-11+.
What are the key properties of (E)-3-cyclohexyl-4-hydroxy-N,N-dimethylhept-2-enamide?
(E)-3-cyclohexyl-4-hydroxy-N,N-dimethylhept-2-enamide has a molecular weight of 253.39 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclohexyl-4-hydroxy-N,N-dimethylhept-2-enamide is sourced from PubChem (CID 10083625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).