13-cyclopent-2-en-1-yl-N-[3-(dimethylamino)propyl]tridecanamide

C23H44N2O — CID 77488595

IUPAC13-cyclopent-2-en-1-yl-N-[3-(dimethylamino)propyl]tridecanamide
SMILESCN(C)CCCNC(=O)CCCCCCCCCCCCC1C=CCC1
InChIInChI=1S/C23H44N2O/c1-25(2)21-15-20-24-23(26)19-12-10-8-6-4-3-5-7-9-11-16-22-17-13-14-18-22/h13,17,22H,3-12,14-16,18-21H2,1-2H3,(H,24,26)
InChIKeyFQLYLUPWEGQXNV-UHFFFAOYSA-N
MW364.62 g/mol
LogP5.70
Rot. Bonds17

About 13-cyclopent-2-en-1-yl-N-[3-(dimethylamino)propyl]tridecanamide

13-cyclopent-2-en-1-yl-N-[3-(dimethylamino)propyl]tridecanamide (PubChem CID 77488595) has the molecular formula C23H44N2O and a molecular weight of 364.62 g/mol. Its IUPAC name is 13-cyclopent-2-en-1-yl-N-[3-(dimethylamino)propyl]tridecanamide.

Molecular Properties

Compound Name13-cyclopent-2-en-1-yl-N-[3-(dimethylamino)propyl]tridecanamide
PubChem CID77488595
Molecular FormulaC23H44N2O
Molecular Weight364.62 g/mol
Exact Mass364.35
IUPAC Name13-cyclopent-2-en-1-yl-N-[3-(dimethylamino)propyl]tridecanamide
SMILESCN(C)CCCNC(=O)CCCCCCCCCCCCC1C=CCC1
InChIInChI=1S/C23H44N2O/c1-25(2)21-15-20-24-23(26)19-12-10-8-6-4-3-5-7-9-11-16-22-17-13-14-18-22/h13,17,22H,3-12,14-16,18-21H2,1-2H3,(H,24,26)
InChIKeyFQLYLUPWEGQXNV-UHFFFAOYSA-N
XLogP5.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.62
LogP ≤ 55.70
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'}

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Related Compounds

3-(4,5-dihydro-3H-azepin-5-yl)-N-[3-(dimethylamino)propyl]propanamide
CID 90705990
N-[3-(dimethylamino)propyl]nonanamide
CID 3395805
10-[3-(dimethylamino)propylamino]-10-oxodecanoic acid
CID 51038580
N-[3-(dimethylamino)propyl]octadecanamide;hydrochloride
CID 3019212
N'-[3-(dimethylamino)propyl]hexanediamide
CID 174324158
3-(cycloheptylamino)-N-[3-(dimethylamino)propyl]propanamide
CID 109016915
N-[4-(dimethylamino)butyl]docosanamide
CID 87265167
N-[3-(dimethylamino)propyl]tetradecanamide;phosphoric acid
CID 71587478
18-(dimethylamino)-N-propyloctadecanamide
CID 87286031
10-[2-(dimethylamino)ethylamino]-10-oxodecanoic acid
CID 51038800
N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79002121
6-(dimethylamino)-N-dodecylhexanamide;hydroiodide
CID 158720185

Frequently Asked Questions

What is the IUPAC name of 13-cyclopent-2-en-1-yl-N-[3-(dimethylamino)propyl]tridecanamide?
The IUPAC name of 13-cyclopent-2-en-1-yl-N-[3-(dimethylamino)propyl]tridecanamide (CID 77488595) is 13-cyclopent-2-en-1-yl-N-[3-(dimethylamino)propyl]tridecanamide.
What is the SMILES notation for 13-cyclopent-2-en-1-yl-N-[3-(dimethylamino)propyl]tridecanamide?
The canonical SMILES for 13-cyclopent-2-en-1-yl-N-[3-(dimethylamino)propyl]tridecanamide is CN(C)CCCNC(=O)CCCCCCCCCCCCC1C=CCC1.
What is the InChIKey of 13-cyclopent-2-en-1-yl-N-[3-(dimethylamino)propyl]tridecanamide?
The InChIKey is FQLYLUPWEGQXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N2O/c1-25(2)21-15-20-24-23(26)19-12-10-8-6-4-3-5-7-9-11-16-22-17-13-14-18-22/h13,17,22H,3-12,14-16,18-21H2,1-2H3,(H,24,26).
What are the key properties of 13-cyclopent-2-en-1-yl-N-[3-(dimethylamino)propyl]tridecanamide?
13-cyclopent-2-en-1-yl-N-[3-(dimethylamino)propyl]tridecanamide has a molecular weight of 364.62 g/mol, XLogP of 5.70, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-cyclopent-2-en-1-yl-N-[3-(dimethylamino)propyl]tridecanamide is sourced from PubChem (CID 77488595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).