N-[(2E,4Z)-3-formamidohepta-2,4-dienyl]cyclohexa-2,4-diene-1-carboxamide

C15H20N2O2 — CID 130413415

IUPACN-[(2E,4Z)-3-formamidohepta-2,4-dienyl]cyclohexa-2,4-diene-1-carboxamide
SMILESCC/C=C\C(=C/CNC(=O)C1C=CC=CC1)NC=O
InChIInChI=1S/C15H20N2O2/c1-2-3-9-14(17-12-18)10-11-16-15(19)13-7-5-4-6-8-13/h3-7,9-10,12-13H,2,8,11H2,1H3,(H,16,19)(H,17,18)/b9-3-,14-10+
InChIKeyYMYIHDPEORLYDR-HYFZIKBYSA-N
MW260.34 g/mol
LogP1.83
Rot. Bonds7

About N-[(2E,4Z)-3-formamidohepta-2,4-dienyl]cyclohexa-2,4-diene-1-carboxamide

N-[(2E,4Z)-3-formamidohepta-2,4-dienyl]cyclohexa-2,4-diene-1-carboxamide (PubChem CID 130413415) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[(2E,4Z)-3-formamidohepta-2,4-dienyl]cyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound NameN-[(2E,4Z)-3-formamidohepta-2,4-dienyl]cyclohexa-2,4-diene-1-carboxamide
PubChem CID130413415
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[(2E,4Z)-3-formamidohepta-2,4-dienyl]cyclohexa-2,4-diene-1-carboxamide
SMILESCC/C=C\C(=C/CNC(=O)C1C=CC=CC1)NC=O
InChIInChI=1S/C15H20N2O2/c1-2-3-9-14(17-12-18)10-11-16-15(19)13-7-5-4-6-8-13/h3-7,9-10,12-13H,2,8,11H2,1H3,(H,16,19)(H,17,18)/b9-3-,14-10+
InChIKeyYMYIHDPEORLYDR-HYFZIKBYSA-N
XLogP1.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(2E,4Z)-3-formamidohepta-2,4-dienyl]cyclohexa-2,4-diene-1-carboxamide 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 N-[(2E,4Z)-3-formamidohepta-2,4-dienyl]cyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of N-[(2E,4Z)-3-formamidohepta-2,4-dienyl]cyclohexa-2,4-diene-1-carboxamide (CID 130413415) is N-[(2E,4Z)-3-formamidohepta-2,4-dienyl]cyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for N-[(2E,4Z)-3-formamidohepta-2,4-dienyl]cyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for N-[(2E,4Z)-3-formamidohepta-2,4-dienyl]cyclohexa-2,4-diene-1-carboxamide is CC/C=C\C(=C/CNC(=O)C1C=CC=CC1)NC=O.
What is the InChIKey of N-[(2E,4Z)-3-formamidohepta-2,4-dienyl]cyclohexa-2,4-diene-1-carboxamide?
The InChIKey is YMYIHDPEORLYDR-HYFZIKBYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-3-9-14(17-12-18)10-11-16-15(19)13-7-5-4-6-8-13/h3-7,9-10,12-13H,2,8,11H2,1H3,(H,16,19)(H,17,18)/b9-3-,14-10+.
What are the key properties of N-[(2E,4Z)-3-formamidohepta-2,4-dienyl]cyclohexa-2,4-diene-1-carboxamide?
N-[(2E,4Z)-3-formamidohepta-2,4-dienyl]cyclohexa-2,4-diene-1-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-3-formamidohepta-2,4-dienyl]cyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 130413415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).