(E)-N-cyclohexyl-4-hydroxy-2-methoxyhept-2-enamide

C14H25NO3 — CID 23260397

IUPAC(E)-N-cyclohexyl-4-hydroxy-2-methoxyhept-2-enamide
SMILESCCCC(O)/C=C(/OC)C(=O)NC1CCCCC1
InChIInChI=1S/C14H25NO3/c1-3-7-12(16)10-13(18-2)14(17)15-11-8-5-4-6-9-11/h10-12,16H,3-9H2,1-2H3,(H,15,17)/b13-10+
InChIKeyWPQLMGZQRCKGSD-JLHYYAGUSA-N
MW255.36 g/mol
LogP2.13
Rot. Bonds6

About (E)-N-cyclohexyl-4-hydroxy-2-methoxyhept-2-enamide

(E)-N-cyclohexyl-4-hydroxy-2-methoxyhept-2-enamide (PubChem CID 23260397) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is (E)-N-cyclohexyl-4-hydroxy-2-methoxyhept-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclohexyl-4-hydroxy-2-methoxyhept-2-enamide
PubChem CID23260397
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name(E)-N-cyclohexyl-4-hydroxy-2-methoxyhept-2-enamide
SMILESCCCC(O)/C=C(/OC)C(=O)NC1CCCCC1
InChIInChI=1S/C14H25NO3/c1-3-7-12(16)10-13(18-2)14(17)15-11-8-5-4-6-9-11/h10-12,16H,3-9H2,1-2H3,(H,15,17)/b13-10+
InChIKeyWPQLMGZQRCKGSD-JLHYYAGUSA-N
XLogP2.13
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-cyclohexyl-4-hydroxy-2-methoxyhept-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

(2R,3S)-3-hydroxy-5-methoxy-2-methyl-2,3-dihydro-1H-pyridin-6-one
CID 45083225
3-hydroxy-5-methoxy-2-methyl-2,3-dihydro-1H-pyridin-6-one
CID 71437504
N-(2-hydroxycyclohexyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 84590652
N-(3-ethyl-2-hydroxypentyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 111664798
N-(2-hydroxypentyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 112295462
N-(2-hydroxy-3-methylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 112296722
N-(5-hydroxypentan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 112309229
N-(3-hydroxypentyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 112311292

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclohexyl-4-hydroxy-2-methoxyhept-2-enamide?
The IUPAC name of (E)-N-cyclohexyl-4-hydroxy-2-methoxyhept-2-enamide (CID 23260397) is (E)-N-cyclohexyl-4-hydroxy-2-methoxyhept-2-enamide.
What is the SMILES notation for (E)-N-cyclohexyl-4-hydroxy-2-methoxyhept-2-enamide?
The canonical SMILES for (E)-N-cyclohexyl-4-hydroxy-2-methoxyhept-2-enamide is CCCC(O)/C=C(/OC)C(=O)NC1CCCCC1.
What is the InChIKey of (E)-N-cyclohexyl-4-hydroxy-2-methoxyhept-2-enamide?
The InChIKey is WPQLMGZQRCKGSD-JLHYYAGUSA-N. The full InChI is InChI=1S/C14H25NO3/c1-3-7-12(16)10-13(18-2)14(17)15-11-8-5-4-6-9-11/h10-12,16H,3-9H2,1-2H3,(H,15,17)/b13-10+.
What are the key properties of (E)-N-cyclohexyl-4-hydroxy-2-methoxyhept-2-enamide?
(E)-N-cyclohexyl-4-hydroxy-2-methoxyhept-2-enamide has a molecular weight of 255.36 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclohexyl-4-hydroxy-2-methoxyhept-2-enamide is sourced from PubChem (CID 23260397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).