(E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide

C17H25NO3 — CID 103946334

IUPAC(E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide
SMILESCCC(C)(CCO)NC(=O)/C=C/c1cc(C)ccc1OC
InChIInChI=1S/C17H25NO3/c1-5-17(3,10-11-19)18-16(20)9-7-14-12-13(2)6-8-15(14)21-4/h6-9,12,19H,5,10-11H2,1-4H3,(H,18,20)/b9-7+
InChIKeyXGVDPEDUYKKDNN-VQHVLOKHSA-N
MW291.39 g/mol
LogP2.68
Rot. Bonds7

About (E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide

(E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide (PubChem CID 103946334) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is (E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide
PubChem CID103946334
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name(E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide
SMILESCCC(C)(CCO)NC(=O)/C=C/c1cc(C)ccc1OC
InChIInChI=1S/C17H25NO3/c1-5-17(3,10-11-19)18-16(20)9-7-14-12-13(2)6-8-15(14)21-4/h6-9,12,19H,5,10-11H2,1-4H3,(H,18,20)/b9-7+
InChIKeyXGVDPEDUYKKDNN-VQHVLOKHSA-N
XLogP2.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-(2-methoxy-5-methylphenyl)prop-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

2-[3-(2-methoxy-5-methylphenyl)prop-2-enoylamino]-2-methylbutanoic acid
CID 79790035
(E)-N-(3,4-dimethoxyphenyl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 7668851
2-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]acetic acid
CID 43241711
methyl 3-(2-methoxy-5-methylphenyl)prop-2-enoate
CID 54032355
3-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]butanoic acid
CID 43242065
(E)-3-(4-chlorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)prop-2-enamide
CID 103946118
(E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-thiophen-2-ylprop-2-enamide
CID 103945748
(E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-(2-nitrophenyl)prop-2-enamide
CID 103946043
methyl 2-[[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]amino]-2-methylpentanoate
CID 60531581
(E)-N-cyclopropyl-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 9210143
(E)-N-(4-hydroxy-2,2-dimethylbutyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 103772890
2-(5-chloro-2-methoxyphenyl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 103945956

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide (CID 103946334) is (E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide is CCC(C)(CCO)NC(=O)/C=C/c1cc(C)ccc1OC.
What is the InChIKey of (E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide?
The InChIKey is XGVDPEDUYKKDNN-VQHVLOKHSA-N. The full InChI is InChI=1S/C17H25NO3/c1-5-17(3,10-11-19)18-16(20)9-7-14-12-13(2)6-8-15(14)21-4/h6-9,12,19H,5,10-11H2,1-4H3,(H,18,20)/b9-7+.
What are the key properties of (E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide?
(E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide has a molecular weight of 291.39 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide is sourced from PubChem (CID 103946334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).