(E)-N-(3-hydroxybutyl)-3-(3-methoxyphenyl)but-2-enamide

C15H21NO3 — CID 111911961

IUPAC(E)-N-(3-hydroxybutyl)-3-(3-methoxyphenyl)but-2-enamide
SMILESCOc1cccc(/C(C)=C/C(=O)NCCC(C)O)c1
InChIInChI=1S/C15H21NO3/c1-11(9-15(18)16-8-7-12(2)17)13-5-4-6-14(10-13)19-3/h4-6,9-10,12,17H,7-8H2,1-3H3,(H,16,18)/b11-9+
InChIKeyDSHHFPQAYKAYPV-PKNBQFBNSA-N
MW263.34 g/mol
LogP1.99
Rot. Bonds6

About (E)-N-(3-hydroxybutyl)-3-(3-methoxyphenyl)but-2-enamide

(E)-N-(3-hydroxybutyl)-3-(3-methoxyphenyl)but-2-enamide (PubChem CID 111911961) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (E)-N-(3-hydroxybutyl)-3-(3-methoxyphenyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-hydroxybutyl)-3-(3-methoxyphenyl)but-2-enamide
PubChem CID111911961
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(E)-N-(3-hydroxybutyl)-3-(3-methoxyphenyl)but-2-enamide
SMILESCOc1cccc(/C(C)=C/C(=O)NCCC(C)O)c1
InChIInChI=1S/C15H21NO3/c1-11(9-15(18)16-8-7-12(2)17)13-5-4-6-14(10-13)19-3/h4-6,9-10,12,17H,7-8H2,1-3H3,(H,16,18)/b11-9+
InChIKeyDSHHFPQAYKAYPV-PKNBQFBNSA-N
XLogP1.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-(3-hydroxybutyl)-3-(3-methoxyphenyl)but-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)-N-(3-hydroxy-4-methylpentyl)-3-(3-methoxyphenyl)but-2-enamide
CID 111912040
(E)-N-(2-hydroxy-3-phenylpropyl)-3-(3-methoxyphenyl)but-2-enamide
CID 111911976
(E)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(3-methoxyphenyl)but-2-enamide
CID 111912079
(E)-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(3-methoxyphenyl)but-2-enamide
CID 111912016
N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(3-methoxyphenyl)but-2-enamide
CID 71860116
N-(4-hydroxy-2-methylpentyl)-3-(4-methoxyphenyl)but-2-enamide
CID 111780107
N-(3-hydroxy-3-phenylpropyl)-3-methoxybenzamide
CID 90499517
N-[1-(2-hydroxyethyl)cyclohexyl]-3-(3-methoxyphenyl)but-2-enamide
CID 91944052
2,2-difluoro-1-(3-methoxyphenyl)ethanone
CID 91636166
3-(3-fluorophenyl)-N-(3-hydroxybutyl)prop-2-enamide
CID 77037539
N-(3-hydroxybutyl)-3-phenylmethoxybenzamide
CID 111433563
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-hydroxybutyl)-3-(3-methoxyphenyl)but-2-enamide?
The IUPAC name of (E)-N-(3-hydroxybutyl)-3-(3-methoxyphenyl)but-2-enamide (CID 111911961) is (E)-N-(3-hydroxybutyl)-3-(3-methoxyphenyl)but-2-enamide.
What is the SMILES notation for (E)-N-(3-hydroxybutyl)-3-(3-methoxyphenyl)but-2-enamide?
The canonical SMILES for (E)-N-(3-hydroxybutyl)-3-(3-methoxyphenyl)but-2-enamide is COc1cccc(/C(C)=C/C(=O)NCCC(C)O)c1.
What is the InChIKey of (E)-N-(3-hydroxybutyl)-3-(3-methoxyphenyl)but-2-enamide?
The InChIKey is DSHHFPQAYKAYPV-PKNBQFBNSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11(9-15(18)16-8-7-12(2)17)13-5-4-6-14(10-13)19-3/h4-6,9-10,12,17H,7-8H2,1-3H3,(H,16,18)/b11-9+.
What are the key properties of (E)-N-(3-hydroxybutyl)-3-(3-methoxyphenyl)but-2-enamide?
(E)-N-(3-hydroxybutyl)-3-(3-methoxyphenyl)but-2-enamide has a molecular weight of 263.34 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-hydroxybutyl)-3-(3-methoxyphenyl)but-2-enamide is sourced from PubChem (CID 111911961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).