(Z)-16-[[2-(methylamino)-2-oxoacetyl]amino]hexadec-11-enoic acid

C19H34N2O4 — CID 46852951

IUPAC(Z)-16-[[2-(methylamino)-2-oxoacetyl]amino]hexadec-11-enoic acid
SMILESCNC(=O)C(=O)NCCCC/C=C\CCCCCCCCCC(=O)O
InChIInChI=1S/C19H34N2O4/c1-20-18(24)19(25)21-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17(22)23/h6,8H,2-5,7,9-16H2,1H3,(H,20,24)(H,21,25)(H,22,23)/b8-6-
InChIKeyWKESFWWKRDQART-VURMDHGXSA-N
MW354.49 g/mol
LogP3.17
Rot. Bonds15

About (Z)-16-[[2-(methylamino)-2-oxoacetyl]amino]hexadec-11-enoic acid

(Z)-16-[[2-(methylamino)-2-oxoacetyl]amino]hexadec-11-enoic acid (PubChem CID 46852951) has the molecular formula C19H34N2O4 and a molecular weight of 354.49 g/mol. Its IUPAC name is (Z)-16-[[2-(methylamino)-2-oxoacetyl]amino]hexadec-11-enoic acid.

Molecular Properties

Compound Name(Z)-16-[[2-(methylamino)-2-oxoacetyl]amino]hexadec-11-enoic acid
PubChem CID46852951
Molecular FormulaC19H34N2O4
Molecular Weight354.49 g/mol
Exact Mass354.25
IUPAC Name(Z)-16-[[2-(methylamino)-2-oxoacetyl]amino]hexadec-11-enoic acid
SMILESCNC(=O)C(=O)NCCCC/C=C\CCCCCCCCCC(=O)O
InChIInChI=1S/C19H34N2O4/c1-20-18(24)19(25)21-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17(22)23/h6,8H,2-5,7,9-16H2,1H3,(H,20,24)(H,21,25)(H,22,23)/b8-6-
InChIKeyWKESFWWKRDQART-VURMDHGXSA-N
XLogP3.17
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-16-[[2-(methylamino)-2-oxoacetyl]amino]hexadec-11-enoic acid 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 (Z)-16-[[2-(methylamino)-2-oxoacetyl]amino]hexadec-11-enoic acid?
The IUPAC name of (Z)-16-[[2-(methylamino)-2-oxoacetyl]amino]hexadec-11-enoic acid (CID 46852951) is (Z)-16-[[2-(methylamino)-2-oxoacetyl]amino]hexadec-11-enoic acid.
What is the SMILES notation for (Z)-16-[[2-(methylamino)-2-oxoacetyl]amino]hexadec-11-enoic acid?
The canonical SMILES for (Z)-16-[[2-(methylamino)-2-oxoacetyl]amino]hexadec-11-enoic acid is CNC(=O)C(=O)NCCCC/C=C\CCCCCCCCCC(=O)O.
What is the InChIKey of (Z)-16-[[2-(methylamino)-2-oxoacetyl]amino]hexadec-11-enoic acid?
The InChIKey is WKESFWWKRDQART-VURMDHGXSA-N. The full InChI is InChI=1S/C19H34N2O4/c1-20-18(24)19(25)21-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17(22)23/h6,8H,2-5,7,9-16H2,1H3,(H,20,24)(H,21,25)(H,22,23)/b8-6-.
What are the key properties of (Z)-16-[[2-(methylamino)-2-oxoacetyl]amino]hexadec-11-enoic acid?
(Z)-16-[[2-(methylamino)-2-oxoacetyl]amino]hexadec-11-enoic acid has a molecular weight of 354.49 g/mol, XLogP of 3.17, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-16-[[2-(methylamino)-2-oxoacetyl]amino]hexadec-11-enoic acid is sourced from PubChem (CID 46852951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).