N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)octadec-9-enamide

C30H48N2O — CID 3108062

IUPACN-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)octadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCCC(=O)Nc1c2c(nc3c1CCC3)CCCC2
InChIInChI=1S/C30H48N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-29(33)32-30-25-20-17-18-22-27(25)31-28-23-19-21-26(28)30/h9-10H,2-8,11-24H2,1H3,(H,31,32,33)
InChIKeyWXCSISSGWHCCMF-UHFFFAOYSA-N
MW452.73 g/mol
LogP8.43
Rot. Bonds16

About N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)octadec-9-enamide

N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)octadec-9-enamide (PubChem CID 3108062) has the molecular formula C30H48N2O and a molecular weight of 452.73 g/mol. Its IUPAC name is N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)octadec-9-enamide.

Molecular Properties

Compound NameN-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)octadec-9-enamide
PubChem CID3108062
Molecular FormulaC30H48N2O
Molecular Weight452.73 g/mol
Exact Mass452.38
IUPAC NameN-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)octadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCCC(=O)Nc1c2c(nc3c1CCC3)CCCC2
InChIInChI=1S/C30H48N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-29(33)32-30-25-20-17-18-22-27(25)31-28-23-19-21-26(28)30/h9-10H,2-8,11-24H2,1H3,(H,31,32,33)
InChIKeyWXCSISSGWHCCMF-UHFFFAOYSA-N
XLogP8.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.73
LogP ≤ 58.43
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 N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)octadec-9-enamide with MolForge

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Related Compounds

N-(1,2,3,4-tetrahydroacridin-9-yl)pentanamide
CID 14880986
(Z)-N-(2,6-diethylphenyl)octadec-9-enamide
CID 15743064
(Z)-N-(2-hydroxyphenyl)octadec-9-enamide
CID 52916764
(Z)-N-[2,6-di(propan-2-yl)phenyl]nonadec-10-enamide
CID 71684537
N-[2,3,5,6-tetramethyl-4-(undecanoylamino)phenyl]undecanamide
CID 100965559
N-phenyldocos-13-enamide
CID 54224492
(Z)-N-phenyloctadec-9-enamide
CID 5354590
(9E,12E)-N-quinolin-8-yloctadeca-9,12-dienamide
CID 162681597
(9Z,12Z)-N-quinolin-8-yloctadeca-9,12-dienamide
CID 162681596
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pentanamide
CID 33039661
(Z)-N-(4-amino-6-oxo-1H-pyrimidin-5-yl)octadec-9-enamide
CID 137048002
(E)-N-(2,4,6-trimethoxyphenyl)icos-11-enamide
CID 67862538

Frequently Asked Questions

What is the IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)octadec-9-enamide?
The IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)octadec-9-enamide (CID 3108062) is N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)octadec-9-enamide.
What is the SMILES notation for N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)octadec-9-enamide?
The canonical SMILES for N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)octadec-9-enamide is CCCCCCCCC=CCCCCCCCC(=O)Nc1c2c(nc3c1CCC3)CCCC2.
What is the InChIKey of N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)octadec-9-enamide?
The InChIKey is WXCSISSGWHCCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-29(33)32-30-25-20-17-18-22-27(25)31-28-23-19-21-26(28)30/h9-10H,2-8,11-24H2,1H3,(H,31,32,33).
What are the key properties of N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)octadec-9-enamide?
N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)octadec-9-enamide has a molecular weight of 452.73 g/mol, XLogP of 8.43, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)octadec-9-enamide is sourced from PubChem (CID 3108062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).