(Z)-N-methyl-N-(2-oxopropyl)octadec-9-enamide

C22H41NO2 — CID 158023886

IUPAC(Z)-N-methyl-N-(2-oxopropyl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N(C)CC(C)=O
InChIInChI=1S/C22H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23(3)20-21(2)24/h11-12H,4-10,13-20H2,1-3H3/b12-11-
InChIKeySDVFXIIWBXDGPA-QXMHVHEDSA-N
MW351.58 g/mol
LogP6.07
Rot. Bonds17

About (Z)-N-methyl-N-(2-oxopropyl)octadec-9-enamide

(Z)-N-methyl-N-(2-oxopropyl)octadec-9-enamide (PubChem CID 158023886) has the molecular formula C22H41NO2 and a molecular weight of 351.58 g/mol. Its IUPAC name is (Z)-N-methyl-N-(2-oxopropyl)octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-methyl-N-(2-oxopropyl)octadec-9-enamide
PubChem CID158023886
Molecular FormulaC22H41NO2
Molecular Weight351.58 g/mol
Exact Mass351.31
IUPAC Name(Z)-N-methyl-N-(2-oxopropyl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N(C)CC(C)=O
InChIInChI=1S/C22H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23(3)20-21(2)24/h11-12H,4-10,13-20H2,1-3H3/b12-11-
InChIKeySDVFXIIWBXDGPA-QXMHVHEDSA-N
XLogP6.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.58
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N-methyl-N-(2-oxopropyl)octadec-9-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-[[(Z)-docos-13-enoyl]-methylamino]acetic acid
CID 109374190
2-[methyl(octadec-11-enoyl)amino]acetic acid
CID 175197754
2-[[(E)-hexadec-8-enoyl]-methylamino]acetic acid
CID 20606581
2-[methyl-[(Z)-octadec-9-enoyl]amino]acetic acid;zinc
CID 158929177
chromium(3+);tris(2-[methyl-[(Z)-octadec-9-enoyl]amino]acetate)
CID 173332021
(Z)-N-methyl-N-[(Z)-octadec-9-enoyl]octadec-9-enamide
CID 87122840
2-[methyl-[(Z)-octadec-9-enoyl]amino]acetic acid;octadecan-1-amine
CID 174638306
2-(methylamino)acetic acid;2-[methyl-[(Z)-octadec-9-enoyl]amino]acetic acid
CID 88510322
(Z)-N,N-di(tetradecanoyl)octadec-9-enamide
CID 175402772
(Z)-tricos-16-en-2-one
CID 134866400
(Z)-pentacos-16-en-2-one
CID 90307095
(E)-icos-10-en-2-one
CID 137410632

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-N-(2-oxopropyl)octadec-9-enamide?
The IUPAC name of (Z)-N-methyl-N-(2-oxopropyl)octadec-9-enamide (CID 158023886) is (Z)-N-methyl-N-(2-oxopropyl)octadec-9-enamide.
What is the SMILES notation for (Z)-N-methyl-N-(2-oxopropyl)octadec-9-enamide?
The canonical SMILES for (Z)-N-methyl-N-(2-oxopropyl)octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)N(C)CC(C)=O.
What is the InChIKey of (Z)-N-methyl-N-(2-oxopropyl)octadec-9-enamide?
The InChIKey is SDVFXIIWBXDGPA-QXMHVHEDSA-N. The full InChI is InChI=1S/C22H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23(3)20-21(2)24/h11-12H,4-10,13-20H2,1-3H3/b12-11-.
What are the key properties of (Z)-N-methyl-N-(2-oxopropyl)octadec-9-enamide?
(Z)-N-methyl-N-(2-oxopropyl)octadec-9-enamide has a molecular weight of 351.58 g/mol, XLogP of 6.07, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-N-(2-oxopropyl)octadec-9-enamide is sourced from PubChem (CID 158023886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).