(Z)-N-(2-aminoacetyl)docos-13-enamide

C24H46N2O2 — CID 86744101

IUPAC(Z)-N-(2-aminoacetyl)docos-13-enamide
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)NC(=O)CN
InChIInChI=1S/C24H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(27)26-24(28)22-25/h9-10H,2-8,11-22,25H2,1H3,(H,26,27,28)/b10-9-
InChIKeyMFQKYJZMCOBHLN-KTKRTIGZSA-N
MW394.64 g/mol
LogP6.19
Rot. Bonds20

About (Z)-N-(2-aminoacetyl)docos-13-enamide

(Z)-N-(2-aminoacetyl)docos-13-enamide (PubChem CID 86744101) has the molecular formula C24H46N2O2 and a molecular weight of 394.64 g/mol. Its IUPAC name is (Z)-N-(2-aminoacetyl)docos-13-enamide.

Molecular Properties

Compound Name(Z)-N-(2-aminoacetyl)docos-13-enamide
PubChem CID86744101
Molecular FormulaC24H46N2O2
Molecular Weight394.64 g/mol
Exact Mass394.36
IUPAC Name(Z)-N-(2-aminoacetyl)docos-13-enamide
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)NC(=O)CN
InChIInChI=1S/C24H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(27)26-24(28)22-25/h9-10H,2-8,11-22,25H2,1H3,(H,26,27,28)/b10-9-
InChIKeyMFQKYJZMCOBHLN-KTKRTIGZSA-N
XLogP6.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.64
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-N-(2-aminoacetyl)docos-13-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 (Z)-N-(2-aminoacetyl)docos-13-enamide?
The IUPAC name of (Z)-N-(2-aminoacetyl)docos-13-enamide (CID 86744101) is (Z)-N-(2-aminoacetyl)docos-13-enamide.
What is the SMILES notation for (Z)-N-(2-aminoacetyl)docos-13-enamide?
The canonical SMILES for (Z)-N-(2-aminoacetyl)docos-13-enamide is CCCCCCCC/C=C\CCCCCCCCCCCC(=O)NC(=O)CN.
What is the InChIKey of (Z)-N-(2-aminoacetyl)docos-13-enamide?
The InChIKey is MFQKYJZMCOBHLN-KTKRTIGZSA-N. The full InChI is InChI=1S/C24H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(27)26-24(28)22-25/h9-10H,2-8,11-22,25H2,1H3,(H,26,27,28)/b10-9-.
What are the key properties of (Z)-N-(2-aminoacetyl)docos-13-enamide?
(Z)-N-(2-aminoacetyl)docos-13-enamide has a molecular weight of 394.64 g/mol, XLogP of 6.19, 20 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-aminoacetyl)docos-13-enamide is sourced from PubChem (CID 86744101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).