N-[(3S,5Z,6E,8E)-5-ethylidene-7,9-difluoro-1-(propylamino)nona-6,8-dien-3-yl]formamide

C15H24F2N2O — CID 143293755

IUPACN-[(3S,5Z,6E,8E)-5-ethylidene-7,9-difluoro-1-(propylamino)nona-6,8-dien-3-yl]formamide
SMILESC/C=C(\C=C(F)/C=C/F)C[C@@H](CCNCCC)NC=O
InChIInChI=1S/C15H24F2N2O/c1-3-8-18-9-6-15(19-12-20)11-13(4-2)10-14(17)5-7-16/h4-5,7,10,12,15,18H,3,6,8-9,11H2,1-2H3,(H,19,20)/b7-5+,13-4+,14-10+/t15-/m1/s1
InChIKeyJUARPLWCTCTPDZ-AJHGLHBUSA-N
MW286.37 g/mol
LogP3.16
Rot. Bonds11

About N-[(3S,5Z,6E,8E)-5-ethylidene-7,9-difluoro-1-(propylamino)nona-6,8-dien-3-yl]formamide

N-[(3S,5Z,6E,8E)-5-ethylidene-7,9-difluoro-1-(propylamino)nona-6,8-dien-3-yl]formamide (PubChem CID 143293755) has the molecular formula C15H24F2N2O and a molecular weight of 286.37 g/mol. Its IUPAC name is N-[(3S,5Z,6E,8E)-5-ethylidene-7,9-difluoro-1-(propylamino)nona-6,8-dien-3-yl]formamide.

Molecular Properties

Compound NameN-[(3S,5Z,6E,8E)-5-ethylidene-7,9-difluoro-1-(propylamino)nona-6,8-dien-3-yl]formamide
PubChem CID143293755
Molecular FormulaC15H24F2N2O
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC NameN-[(3S,5Z,6E,8E)-5-ethylidene-7,9-difluoro-1-(propylamino)nona-6,8-dien-3-yl]formamide
SMILESC/C=C(\C=C(F)/C=C/F)C[C@@H](CCNCCC)NC=O
InChIInChI=1S/C15H24F2N2O/c1-3-8-18-9-6-15(19-12-20)11-13(4-2)10-14(17)5-7-16/h4-5,7,10,12,15,18H,3,6,8-9,11H2,1-2H3,(H,19,20)/b7-5+,13-4+,14-10+/t15-/m1/s1
InChIKeyJUARPLWCTCTPDZ-AJHGLHBUSA-N
XLogP3.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3S,5Z,6E,8E)-5-ethylidene-7,9-difluoro-1-(propylamino)nona-6,8-dien-3-yl]formamide 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-[(3S,5Z,6E,8E)-5-ethylidene-7,9-difluoro-1-(propylamino)nona-6,8-dien-3-yl]formamide?
The IUPAC name of N-[(3S,5Z,6E,8E)-5-ethylidene-7,9-difluoro-1-(propylamino)nona-6,8-dien-3-yl]formamide (CID 143293755) is N-[(3S,5Z,6E,8E)-5-ethylidene-7,9-difluoro-1-(propylamino)nona-6,8-dien-3-yl]formamide.
What is the SMILES notation for N-[(3S,5Z,6E,8E)-5-ethylidene-7,9-difluoro-1-(propylamino)nona-6,8-dien-3-yl]formamide?
The canonical SMILES for N-[(3S,5Z,6E,8E)-5-ethylidene-7,9-difluoro-1-(propylamino)nona-6,8-dien-3-yl]formamide is C/C=C(\C=C(F)/C=C/F)C[C@@H](CCNCCC)NC=O.
What is the InChIKey of N-[(3S,5Z,6E,8E)-5-ethylidene-7,9-difluoro-1-(propylamino)nona-6,8-dien-3-yl]formamide?
The InChIKey is JUARPLWCTCTPDZ-AJHGLHBUSA-N. The full InChI is InChI=1S/C15H24F2N2O/c1-3-8-18-9-6-15(19-12-20)11-13(4-2)10-14(17)5-7-16/h4-5,7,10,12,15,18H,3,6,8-9,11H2,1-2H3,(H,19,20)/b7-5+,13-4+,14-10+/t15-/m1/s1.
What are the key properties of N-[(3S,5Z,6E,8E)-5-ethylidene-7,9-difluoro-1-(propylamino)nona-6,8-dien-3-yl]formamide?
N-[(3S,5Z,6E,8E)-5-ethylidene-7,9-difluoro-1-(propylamino)nona-6,8-dien-3-yl]formamide has a molecular weight of 286.37 g/mol, XLogP of 3.16, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5Z,6E,8E)-5-ethylidene-7,9-difluoro-1-(propylamino)nona-6,8-dien-3-yl]formamide is sourced from PubChem (CID 143293755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).