N-[2-cyclopropyl-2-(hexa-2,4-dienoylamino)ethyl]hexa-2,4-dienamide

C17H24N2O2 — CID 76879325

IUPACN-[2-cyclopropyl-2-(hexa-2,4-dienoylamino)ethyl]hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NCC(NC(=O)C=CC=CC)C1CC1
InChIInChI=1S/C17H24N2O2/c1-3-5-7-9-16(20)18-13-15(14-11-12-14)19-17(21)10-8-6-4-2/h3-10,14-15H,11-13H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyKPFXYGTURFEEBY-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.26
Rot. Bonds8

About N-[2-cyclopropyl-2-(hexa-2,4-dienoylamino)ethyl]hexa-2,4-dienamide

N-[2-cyclopropyl-2-(hexa-2,4-dienoylamino)ethyl]hexa-2,4-dienamide (PubChem CID 76879325) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[2-cyclopropyl-2-(hexa-2,4-dienoylamino)ethyl]hexa-2,4-dienamide.

Molecular Properties

Compound NameN-[2-cyclopropyl-2-(hexa-2,4-dienoylamino)ethyl]hexa-2,4-dienamide
PubChem CID76879325
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[2-cyclopropyl-2-(hexa-2,4-dienoylamino)ethyl]hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NCC(NC(=O)C=CC=CC)C1CC1
InChIInChI=1S/C17H24N2O2/c1-3-5-7-9-16(20)18-13-15(14-11-12-14)19-17(21)10-8-6-4-2/h3-10,14-15H,11-13H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyKPFXYGTURFEEBY-UHFFFAOYSA-N
XLogP2.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-2-(hexa-2,4-dienoylamino)ethyl]hexa-2,4-dienamide?
The IUPAC name of N-[2-cyclopropyl-2-(hexa-2,4-dienoylamino)ethyl]hexa-2,4-dienamide (CID 76879325) is N-[2-cyclopropyl-2-(hexa-2,4-dienoylamino)ethyl]hexa-2,4-dienamide.
What is the SMILES notation for N-[2-cyclopropyl-2-(hexa-2,4-dienoylamino)ethyl]hexa-2,4-dienamide?
The canonical SMILES for N-[2-cyclopropyl-2-(hexa-2,4-dienoylamino)ethyl]hexa-2,4-dienamide is CC=CC=CC(=O)NCC(NC(=O)C=CC=CC)C1CC1.
What is the InChIKey of N-[2-cyclopropyl-2-(hexa-2,4-dienoylamino)ethyl]hexa-2,4-dienamide?
The InChIKey is KPFXYGTURFEEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-5-7-9-16(20)18-13-15(14-11-12-14)19-17(21)10-8-6-4-2/h3-10,14-15H,11-13H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-cyclopropyl-2-(hexa-2,4-dienoylamino)ethyl]hexa-2,4-dienamide?
N-[2-cyclopropyl-2-(hexa-2,4-dienoylamino)ethyl]hexa-2,4-dienamide has a molecular weight of 288.39 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-2-(hexa-2,4-dienoylamino)ethyl]hexa-2,4-dienamide is sourced from PubChem (CID 76879325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).