4-[2-[(3R)-3-hydroxyhex-1-enyl]-4-methylphenyl]but-3-enamide

C17H23NO2 — CID 162918143

IUPAC4-[2-[(3R)-3-hydroxyhex-1-enyl]-4-methylphenyl]but-3-enamide
SMILESCCC[C@@H](O)C=Cc1cc(C)ccc1C=CCC(N)=O
InChIInChI=1S/C17H23NO2/c1-3-5-16(19)11-10-15-12-13(2)8-9-14(15)6-4-7-17(18)20/h4,6,8-12,16,19H,3,5,7H2,1-2H3,(H2,18,20)/t16-/m1/s1
InChIKeyCNNYMGVUSRNOJM-MRXNPFEDSA-N
MW273.38 g/mol
LogP3.06
Rot. Bonds7

About 4-[2-[(3R)-3-hydroxyhex-1-enyl]-4-methylphenyl]but-3-enamide

4-[2-[(3R)-3-hydroxyhex-1-enyl]-4-methylphenyl]but-3-enamide (PubChem CID 162918143) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-[2-[(3R)-3-hydroxyhex-1-enyl]-4-methylphenyl]but-3-enamide.

Molecular Properties

Compound Name4-[2-[(3R)-3-hydroxyhex-1-enyl]-4-methylphenyl]but-3-enamide
PubChem CID162918143
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name4-[2-[(3R)-3-hydroxyhex-1-enyl]-4-methylphenyl]but-3-enamide
SMILESCCC[C@@H](O)C=Cc1cc(C)ccc1C=CCC(N)=O
InChIInChI=1S/C17H23NO2/c1-3-5-16(19)11-10-15-12-13(2)8-9-14(15)6-4-7-17(18)20/h4,6,8-12,16,19H,3,5,7H2,1-2H3,(H2,18,20)/t16-/m1/s1
InChIKeyCNNYMGVUSRNOJM-MRXNPFEDSA-N
XLogP3.06
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[2-[(3R)-3-hydroxyhex-1-enyl]-4-methylphenyl]but-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

Related Compounds

2-(4-amino-4-oxobut-1-enyl)-4-methylbenzoic acid
CID 170798190
(E)-6-[2-[(E,3R)-3-hydroxybut-1-enyl]-4-methylphenyl]hex-5-enoic acid
CID 162902168
(E)-4-[2-(1-hydroxyhexyl)-4-methylphenyl]but-3-enoic acid
CID 44605342
(E)-6-[2-[(E)-but-1-enyl]-5-methylphenyl]hex-5-enoic acid
CID 23760101
methyl (E)-4-[2-(1-hydroxyhexyl)-4-methylphenyl]but-3-enoate
CID 44605344
ethyl 4-(2,5-dimethylphenyl)but-3-enoate
CID 170795675
methyl (E)-3-[2-[(E)-hex-1-enyl]-4-methylphenyl]prop-2-enoate
CID 135041775
4-(5-fluoro-2-methylphenyl)but-3-enamide
CID 170797411
ethyl 4-(2-amino-4-methylphenyl)but-3-enoate
CID 170795846
4-(3,5-dimethylphenyl)but-3-enamide
CID 170797430
ethyl 4-(2-chloro-4-methylphenyl)but-3-enoate
CID 170795653
4-(2,4,6-trimethylphenyl)but-3-enamide
CID 170797721

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3R)-3-hydroxyhex-1-enyl]-4-methylphenyl]but-3-enamide?
The IUPAC name of 4-[2-[(3R)-3-hydroxyhex-1-enyl]-4-methylphenyl]but-3-enamide (CID 162918143) is 4-[2-[(3R)-3-hydroxyhex-1-enyl]-4-methylphenyl]but-3-enamide.
What is the SMILES notation for 4-[2-[(3R)-3-hydroxyhex-1-enyl]-4-methylphenyl]but-3-enamide?
The canonical SMILES for 4-[2-[(3R)-3-hydroxyhex-1-enyl]-4-methylphenyl]but-3-enamide is CCC[C@@H](O)C=Cc1cc(C)ccc1C=CCC(N)=O.
What is the InChIKey of 4-[2-[(3R)-3-hydroxyhex-1-enyl]-4-methylphenyl]but-3-enamide?
The InChIKey is CNNYMGVUSRNOJM-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23NO2/c1-3-5-16(19)11-10-15-12-13(2)8-9-14(15)6-4-7-17(18)20/h4,6,8-12,16,19H,3,5,7H2,1-2H3,(H2,18,20)/t16-/m1/s1.
What are the key properties of 4-[2-[(3R)-3-hydroxyhex-1-enyl]-4-methylphenyl]but-3-enamide?
4-[2-[(3R)-3-hydroxyhex-1-enyl]-4-methylphenyl]but-3-enamide has a molecular weight of 273.38 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3R)-3-hydroxyhex-1-enyl]-4-methylphenyl]but-3-enamide is sourced from PubChem (CID 162918143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).