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

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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).