bis((Z)-hexadec-9-enamide);prop-1-ene

C35H68N2O2 — CID 158850340

IUPACbis((Z)-hexadec-9-enamide);prop-1-ene
SMILESC=CC.CCCCCC/C=C\CCCCCCCC(N)=O.CCCCCC/C=C\CCCCCCCC(N)=O
InChIInChI=1S/2C16H31NO.C3H6/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-3-2/h2*7-8H,2-6,9-15H2,1H3,(H2,17,18);3H,1H2,2H3/b2*8-7-;
InChIKeyIZJDZGCBGZXAHA-ATMONBRVSA-N
MW548.94 g/mol
LogP10.65
Rot. Bonds26

About bis((Z)-hexadec-9-enamide);prop-1-ene

bis((Z)-hexadec-9-enamide);prop-1-ene (PubChem CID 158850340) has the molecular formula C35H68N2O2 and a molecular weight of 548.94 g/mol. Its IUPAC name is bis((Z)-hexadec-9-enamide);prop-1-ene.

Molecular Properties

Compound Namebis((Z)-hexadec-9-enamide);prop-1-ene
PubChem CID158850340
Molecular FormulaC35H68N2O2
Molecular Weight548.94 g/mol
Exact Mass548.53
IUPAC Namebis((Z)-hexadec-9-enamide);prop-1-ene
SMILESC=CC.CCCCCC/C=C\CCCCCCCC(N)=O.CCCCCC/C=C\CCCCCCCC(N)=O
InChIInChI=1S/2C16H31NO.C3H6/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-3-2/h2*7-8H,2-6,9-15H2,1H3,(H2,17,18);3H,1H2,2H3/b2*8-7-;
InChIKeyIZJDZGCBGZXAHA-ATMONBRVSA-N
XLogP10.65
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.94
LogP ≤ 510.65
H-Bond Donors ≤ 52
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 bis((Z)-hexadec-9-enamide);prop-1-ene 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

octadec-9-enamide
CID 75990485
(Z)-tetratriacont-9-enamide
CID 86624387
(E)-icos-11-enamide
CID 5365373
octadec-8-enamide
CID 57212690
(Z)-tricos-15-enamide
CID 155109212
(Z)-(113C)octadec-9-enamide
CID 175811454
(Z)-octadec-9-enamide;platinum
CID 174872668
(Z)-octadec-9-enamide;hydrobromide
CID 146504042
indigane;(Z)-octadec-9-enamide
CID 174921402
ethanamine;(Z)-octadec-9-enamide
CID 174881781
mercury;(Z)-octadec-9-enamide;hydrochloride
CID 175499195
(Z)-docos-13-enamide;prop-2-en-1-amine;hydrobromide
CID 175531495

Frequently Asked Questions

What is the IUPAC name of bis((Z)-hexadec-9-enamide);prop-1-ene?
The IUPAC name of bis((Z)-hexadec-9-enamide);prop-1-ene (CID 158850340) is bis((Z)-hexadec-9-enamide);prop-1-ene.
What is the SMILES notation for bis((Z)-hexadec-9-enamide);prop-1-ene?
The canonical SMILES for bis((Z)-hexadec-9-enamide);prop-1-ene is C=CC.CCCCCC/C=C\CCCCCCCC(N)=O.CCCCCC/C=C\CCCCCCCC(N)=O.
What is the InChIKey of bis((Z)-hexadec-9-enamide);prop-1-ene?
The InChIKey is IZJDZGCBGZXAHA-ATMONBRVSA-N. The full InChI is InChI=1S/2C16H31NO.C3H6/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-3-2/h2*7-8H,2-6,9-15H2,1H3,(H2,17,18);3H,1H2,2H3/b2*8-7-;.
What are the key properties of bis((Z)-hexadec-9-enamide);prop-1-ene?
bis((Z)-hexadec-9-enamide);prop-1-ene has a molecular weight of 548.94 g/mol, XLogP of 10.65, 26 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis((Z)-hexadec-9-enamide);prop-1-ene is sourced from PubChem (CID 158850340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).