(E)-N-[(2S)-1-hydroxypropan-2-yl]-2-methylhexadec-2-enamide

C20H39NO2 — CID 11347939

IUPAC(E)-N-[(2S)-1-hydroxypropan-2-yl]-2-methylhexadec-2-enamide
SMILESCCCCCCCCCCCCC/C=C(\C)C(=O)N[C@@H](C)CO
InChIInChI=1S/C20H39NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18(2)20(23)21-19(3)17-22/h16,19,22H,4-15,17H2,1-3H3,(H,21,23)/b18-16+/t19-/m0/s1
InChIKeyYATFRALIAPYFQO-YMIFCHIISA-N
MW325.54 g/mol
LogP5.13
Rot. Bonds15

About (E)-N-[(2S)-1-hydroxypropan-2-yl]-2-methylhexadec-2-enamide

(E)-N-[(2S)-1-hydroxypropan-2-yl]-2-methylhexadec-2-enamide (PubChem CID 11347939) has the molecular formula C20H39NO2 and a molecular weight of 325.54 g/mol. Its IUPAC name is (E)-N-[(2S)-1-hydroxypropan-2-yl]-2-methylhexadec-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2S)-1-hydroxypropan-2-yl]-2-methylhexadec-2-enamide
PubChem CID11347939
Molecular FormulaC20H39NO2
Molecular Weight325.54 g/mol
Exact Mass325.30
IUPAC Name(E)-N-[(2S)-1-hydroxypropan-2-yl]-2-methylhexadec-2-enamide
SMILESCCCCCCCCCCCCC/C=C(\C)C(=O)N[C@@H](C)CO
InChIInChI=1S/C20H39NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18(2)20(23)21-19(3)17-22/h16,19,22H,4-15,17H2,1-3H3,(H,21,23)/b18-16+/t19-/m0/s1
InChIKeyYATFRALIAPYFQO-YMIFCHIISA-N
XLogP5.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-[(2S)-1-hydroxypropan-2-yl]-2-methylhexadec-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

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2S)-1-hydroxypropan-2-yl]-2-methylhexadec-2-enamide?
The IUPAC name of (E)-N-[(2S)-1-hydroxypropan-2-yl]-2-methylhexadec-2-enamide (CID 11347939) is (E)-N-[(2S)-1-hydroxypropan-2-yl]-2-methylhexadec-2-enamide.
What is the SMILES notation for (E)-N-[(2S)-1-hydroxypropan-2-yl]-2-methylhexadec-2-enamide?
The canonical SMILES for (E)-N-[(2S)-1-hydroxypropan-2-yl]-2-methylhexadec-2-enamide is CCCCCCCCCCCCC/C=C(\C)C(=O)N[C@@H](C)CO.
What is the InChIKey of (E)-N-[(2S)-1-hydroxypropan-2-yl]-2-methylhexadec-2-enamide?
The InChIKey is YATFRALIAPYFQO-YMIFCHIISA-N. The full InChI is InChI=1S/C20H39NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18(2)20(23)21-19(3)17-22/h16,19,22H,4-15,17H2,1-3H3,(H,21,23)/b18-16+/t19-/m0/s1.
What are the key properties of (E)-N-[(2S)-1-hydroxypropan-2-yl]-2-methylhexadec-2-enamide?
(E)-N-[(2S)-1-hydroxypropan-2-yl]-2-methylhexadec-2-enamide has a molecular weight of 325.54 g/mol, XLogP of 5.13, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2S)-1-hydroxypropan-2-yl]-2-methylhexadec-2-enamide is sourced from PubChem (CID 11347939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).