(Z)-N-butyl-3-(butylamino)but-2-enamide

C12H24N2O — CID 12672794

IUPAC(Z)-N-butyl-3-(butylamino)but-2-enamide
SMILESCCCCNC(=O)/C=C(/C)NCCCC
InChIInChI=1S/C12H24N2O/c1-4-6-8-13-11(3)10-12(15)14-9-7-5-2/h10,13H,4-9H2,1-3H3,(H,14,15)/b11-10-
InChIKeyUCYQKKBTZXSIAY-KHPPLWFESA-N
MW212.34 g/mol
LogP2.20
Rot. Bonds8

About (Z)-N-butyl-3-(butylamino)but-2-enamide

(Z)-N-butyl-3-(butylamino)but-2-enamide (PubChem CID 12672794) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (Z)-N-butyl-3-(butylamino)but-2-enamide.

Molecular Properties

Compound Name(Z)-N-butyl-3-(butylamino)but-2-enamide
PubChem CID12672794
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(Z)-N-butyl-3-(butylamino)but-2-enamide
SMILESCCCCNC(=O)/C=C(/C)NCCCC
InChIInChI=1S/C12H24N2O/c1-4-6-8-13-11(3)10-12(15)14-9-7-5-2/h10,13H,4-9H2,1-3H3,(H,14,15)/b11-10-
InChIKeyUCYQKKBTZXSIAY-KHPPLWFESA-N
XLogP2.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.20
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 (Z)-N-butyl-3-(butylamino)but-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 (Z)-N-butyl-3-(butylamino)but-2-enamide?
The IUPAC name of (Z)-N-butyl-3-(butylamino)but-2-enamide (CID 12672794) is (Z)-N-butyl-3-(butylamino)but-2-enamide.
What is the SMILES notation for (Z)-N-butyl-3-(butylamino)but-2-enamide?
The canonical SMILES for (Z)-N-butyl-3-(butylamino)but-2-enamide is CCCCNC(=O)/C=C(/C)NCCCC.
What is the InChIKey of (Z)-N-butyl-3-(butylamino)but-2-enamide?
The InChIKey is UCYQKKBTZXSIAY-KHPPLWFESA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-6-8-13-11(3)10-12(15)14-9-7-5-2/h10,13H,4-9H2,1-3H3,(H,14,15)/b11-10-.
What are the key properties of (Z)-N-butyl-3-(butylamino)but-2-enamide?
(Z)-N-butyl-3-(butylamino)but-2-enamide has a molecular weight of 212.34 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-butyl-3-(butylamino)but-2-enamide is sourced from PubChem (CID 12672794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).