11-cyclopent-2-en-1-yl-N-[3-(dimethylamino)propyl]undecanamide

C21H40N2O — CID 77488593

IUPAC11-cyclopent-2-en-1-yl-N-[3-(dimethylamino)propyl]undecanamide
SMILESCN(C)CCCNC(=O)CCCCCCCCCCC1C=CCC1
InChIInChI=1S/C21H40N2O/c1-23(2)19-13-18-22-21(24)17-10-8-6-4-3-5-7-9-14-20-15-11-12-16-20/h11,15,20H,3-10,12-14,16-19H2,1-2H3,(H,22,24)
InChIKeyGYQZNESNNHTYAH-UHFFFAOYSA-N
MW336.56 g/mol
LogP4.92
Rot. Bonds15

About 11-cyclopent-2-en-1-yl-N-[3-(dimethylamino)propyl]undecanamide

11-cyclopent-2-en-1-yl-N-[3-(dimethylamino)propyl]undecanamide (PubChem CID 77488593) has the molecular formula C21H40N2O and a molecular weight of 336.56 g/mol. Its IUPAC name is 11-cyclopent-2-en-1-yl-N-[3-(dimethylamino)propyl]undecanamide.

Molecular Properties

Compound Name11-cyclopent-2-en-1-yl-N-[3-(dimethylamino)propyl]undecanamide
PubChem CID77488593
Molecular FormulaC21H40N2O
Molecular Weight336.56 g/mol
Exact Mass336.31
IUPAC Name11-cyclopent-2-en-1-yl-N-[3-(dimethylamino)propyl]undecanamide
SMILESCN(C)CCCNC(=O)CCCCCCCCCCC1C=CCC1
InChIInChI=1S/C21H40N2O/c1-23(2)19-13-18-22-21(24)17-10-8-6-4-3-5-7-9-14-20-15-11-12-16-20/h11,15,20H,3-10,12-14,16-19H2,1-2H3,(H,22,24)
InChIKeyGYQZNESNNHTYAH-UHFFFAOYSA-N
XLogP4.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.56
LogP ≤ 54.92
H-Bond Donors ≤ 51
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 11-cyclopent-2-en-1-yl-N-[3-(dimethylamino)propyl]undecanamide 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

N-(3-(Dimethylamino)propyl)oleamide
CID 6436063
Linoleamidopropyl Dimethylamine
CID 16745071
N,N-Diethyl-N'-oleoylethylenediamine
CID 5368041
N-propyl-16,16-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine
CID 5283428
9-Octadecenamide, N,N'-[(methylimino)di-3,1-propanediyl]bis-, (9Z,9'Z)-
CID 6441654
Dilinoleamidopropyl Dimethylamine
CID 91864481
13-Docosenamide, N-(3-(dimethylamino)propyl)-, (13Z)-
CID 87989022
N-propyl alpha-methyl arachidonoyl amine
CID 5283416
(+/-)N-(2-fluro-ethyl)-2,16-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine
CID 5283440
(+/-)-2,17,17,-Trimethyl-5,8,11,14-all-cis-docosatetraenoyl-2'-fluoroethylamine
CID 5283441
(+/-)-2,17,-Dimethyl-5,8,11,14-all-cis-docosatetraenoyl-2'-fluoroethylamine
CID 5283442
(+/-)-2-Methyl-5,8,11,14-all-cis-tricosatetraenoyl-2'-fluoroethylamine
CID 5283443

Frequently Asked Questions

What is the IUPAC name of 11-cyclopent-2-en-1-yl-N-[3-(dimethylamino)propyl]undecanamide?
The IUPAC name of 11-cyclopent-2-en-1-yl-N-[3-(dimethylamino)propyl]undecanamide (CID 77488593) is 11-cyclopent-2-en-1-yl-N-[3-(dimethylamino)propyl]undecanamide.
What is the SMILES notation for 11-cyclopent-2-en-1-yl-N-[3-(dimethylamino)propyl]undecanamide?
The canonical SMILES for 11-cyclopent-2-en-1-yl-N-[3-(dimethylamino)propyl]undecanamide is CN(C)CCCNC(=O)CCCCCCCCCCC1C=CCC1.
What is the InChIKey of 11-cyclopent-2-en-1-yl-N-[3-(dimethylamino)propyl]undecanamide?
The InChIKey is GYQZNESNNHTYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2O/c1-23(2)19-13-18-22-21(24)17-10-8-6-4-3-5-7-9-14-20-15-11-12-16-20/h11,15,20H,3-10,12-14,16-19H2,1-2H3,(H,22,24).
What are the key properties of 11-cyclopent-2-en-1-yl-N-[3-(dimethylamino)propyl]undecanamide?
11-cyclopent-2-en-1-yl-N-[3-(dimethylamino)propyl]undecanamide has a molecular weight of 336.56 g/mol, XLogP of 4.92, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-cyclopent-2-en-1-yl-N-[3-(dimethylamino)propyl]undecanamide is sourced from PubChem (CID 77488593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).