N-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]pyrrolidine-2-carboxamide

C25H38N2O — CID 129051312

IUPACN-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]pyrrolidine-2-carboxamide
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/CNC(=O)C2CCCN2)C(C)(C)CCC1
InChIInChI=1S/C25H38N2O/c1-19(13-14-22-21(3)11-7-16-25(22,4)5)9-6-10-20(2)15-18-27-24(28)23-12-8-17-26-23/h6,9-10,13-15,23,26H,7-8,11-12,16-18H2,1-5H3,(H,27,28)/b10-6+,14-13+,19-9+,20-15+
InChIKeyFXUOMJZMIDYCQN-SYZIHANRSA-N
MW382.59 g/mol
LogP5.39
Rot. Bonds7

About N-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]pyrrolidine-2-carboxamide

N-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]pyrrolidine-2-carboxamide (PubChem CID 129051312) has the molecular formula C25H38N2O and a molecular weight of 382.59 g/mol. Its IUPAC name is N-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]pyrrolidine-2-carboxamide
PubChem CID129051312
Molecular FormulaC25H38N2O
Molecular Weight382.59 g/mol
Exact Mass382.30
IUPAC NameN-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]pyrrolidine-2-carboxamide
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/CNC(=O)C2CCCN2)C(C)(C)CCC1
InChIInChI=1S/C25H38N2O/c1-19(13-14-22-21(3)11-7-16-25(22,4)5)9-6-10-20(2)15-18-27-24(28)23-12-8-17-26-23/h6,9-10,13-15,23,26H,7-8,11-12,16-18H2,1-5H3,(H,27,28)/b10-6+,14-13+,19-9+,20-15+
InChIKeyFXUOMJZMIDYCQN-SYZIHANRSA-N
XLogP5.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]pyrrolidine-2-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,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]pyrrolidine-2-carboxamide (CID 129051312) is N-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]pyrrolidine-2-carboxamide is CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CNC(=O)C2CCCN2)C(C)(C)CCC1.
What is the InChIKey of N-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]pyrrolidine-2-carboxamide?
The InChIKey is FXUOMJZMIDYCQN-SYZIHANRSA-N. The full InChI is InChI=1S/C25H38N2O/c1-19(13-14-22-21(3)11-7-16-25(22,4)5)9-6-10-20(2)15-18-27-24(28)23-12-8-17-26-23/h6,9-10,13-15,23,26H,7-8,11-12,16-18H2,1-5H3,(H,27,28)/b10-6+,14-13+,19-9+,20-15+.
What are the key properties of N-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]pyrrolidine-2-carboxamide?
N-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]pyrrolidine-2-carboxamide has a molecular weight of 382.59 g/mol, XLogP of 5.39, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 129051312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).