(E)-2-methyloctadec-9-enamide

C19H37NO — CID 19371032

IUPAC(E)-2-methyloctadec-9-enamide
SMILESCCCCCCCC/C=C/CCCCCCC(C)C(N)=O
InChIInChI=1S/C19H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19(20)21/h10-11,18H,3-9,12-17H2,1-2H3,(H2,20,21)/b11-10+
InChIKeyNLSRYIUZWSRIPQ-ZHACJKMWSA-N
MW295.51 g/mol
LogP5.76
Rot. Bonds15

About (E)-2-methyloctadec-9-enamide

(E)-2-methyloctadec-9-enamide (PubChem CID 19371032) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is (E)-2-methyloctadec-9-enamide.

Molecular Properties

Compound Name(E)-2-methyloctadec-9-enamide
PubChem CID19371032
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name(E)-2-methyloctadec-9-enamide
SMILESCCCCCCCC/C=C/CCCCCCC(C)C(N)=O
InChIInChI=1S/C19H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19(20)21/h10-11,18H,3-9,12-17H2,1-2H3,(H2,20,21)/b11-10+
InChIKeyNLSRYIUZWSRIPQ-ZHACJKMWSA-N
XLogP5.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.51
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methylicosa-11,14-dienamide
CID 175746328
2-methylheptanamide;2-methylhexanamide
CID 160718848
2-hexadecylicos-11-enamide
CID 173011844
3-methyl-2,4-bis[(Z)-octadec-9-enyl]pentanediamide
CID 141159547
(Z)-2-aminooctadec-9-enamide
CID 56663673
(Z,2S)-2-methyloctadec-9-enoyl chloride
CID 129408802
2-methylnon-7-enamide
CID 142782091
(Z)-2-icosan-2-yldocos-13-enamide
CID 175222534
(Z)-N-(1-amino-1-oxooctadecan-2-yl)docos-13-enamide
CID 139916190
(Z)-2-(octadecanoylamino)docos-13-enamide
CID 175456361
2-ethyloctadec-9-enamide
CID 160810733
2-ethyldocos-13-enamide
CID 173006662

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyloctadec-9-enamide?
The IUPAC name of (E)-2-methyloctadec-9-enamide (CID 19371032) is (E)-2-methyloctadec-9-enamide.
What is the SMILES notation for (E)-2-methyloctadec-9-enamide?
The canonical SMILES for (E)-2-methyloctadec-9-enamide is CCCCCCCC/C=C/CCCCCCC(C)C(N)=O.
What is the InChIKey of (E)-2-methyloctadec-9-enamide?
The InChIKey is NLSRYIUZWSRIPQ-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19(20)21/h10-11,18H,3-9,12-17H2,1-2H3,(H2,20,21)/b11-10+.
What are the key properties of (E)-2-methyloctadec-9-enamide?
(E)-2-methyloctadec-9-enamide has a molecular weight of 295.51 g/mol, XLogP of 5.76, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyloctadec-9-enamide is sourced from PubChem (CID 19371032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).