N-cyclohexyl-1-octadec-9-enylcyclopentane-1-carboxamide

C30H55NO — CID 57184361

IUPACN-cyclohexyl-1-octadec-9-enylcyclopentane-1-carboxamide
SMILESCCCCCCCCC=CCCCCCCCCC1(C(=O)NC2CCCCC2)CCCC1
InChIInChI=1S/C30H55NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-30(26-21-22-27-30)29(32)31-28-23-18-17-19-24-28/h9-10,28H,2-8,11-27H2,1H3,(H,31,32)
InChIKeyXIXWPNPDGAEXFK-UHFFFAOYSA-N
MW445.78 g/mol
LogP9.42
Rot. Bonds18

About N-cyclohexyl-1-octadec-9-enylcyclopentane-1-carboxamide

N-cyclohexyl-1-octadec-9-enylcyclopentane-1-carboxamide (PubChem CID 57184361) has the molecular formula C30H55NO and a molecular weight of 445.78 g/mol. Its IUPAC name is N-cyclohexyl-1-octadec-9-enylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-octadec-9-enylcyclopentane-1-carboxamide
PubChem CID57184361
Molecular FormulaC30H55NO
Molecular Weight445.78 g/mol
Exact Mass445.43
IUPAC NameN-cyclohexyl-1-octadec-9-enylcyclopentane-1-carboxamide
SMILESCCCCCCCCC=CCCCCCCCCC1(C(=O)NC2CCCCC2)CCCC1
InChIInChI=1S/C30H55NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-30(26-21-22-27-30)29(32)31-28-23-18-17-19-24-28/h9-10,28H,2-8,11-27H2,1H3,(H,31,32)
InChIKeyXIXWPNPDGAEXFK-UHFFFAOYSA-N
XLogP9.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.78
LogP ≤ 59.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

N-cyclohexyl-1-hexylcyclobutane-1-carboxamide
CID 57011440
(E)-N-cyclohexyloctadec-9-enamide
CID 10948482
N-cyclohexyltetradecanamide
CID 10244853
N-cycloheptylnonanamide
CID 5045141
1-octylcyclononane-1-carboxylic acid
CID 71245674
1-nonylcyclooctane-1-carboxylic acid
CID 80609308
1-[(octadec-9-enylamino)methyl]cyclohexane-1-carboxylic acid
CID 54131108
N-cyclopentyl-3-propylpyrrolidine-3-carboxamide
CID 63141137
1-N'-cyclohexyl-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108972201
(N,N'-dicyclohexylcarbamimidoyl) (E)-octadec-9-enoate
CID 10929055
(E)-N-cyclopropylnon-2-enamide
CID 144516886
1-[15-(1-acetylcyclopentyl)pentadec-8-enyl]cyclopentane-1-carboxylic acid
CID 159686887

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-octadec-9-enylcyclopentane-1-carboxamide?
The IUPAC name of N-cyclohexyl-1-octadec-9-enylcyclopentane-1-carboxamide (CID 57184361) is N-cyclohexyl-1-octadec-9-enylcyclopentane-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-octadec-9-enylcyclopentane-1-carboxamide?
The canonical SMILES for N-cyclohexyl-1-octadec-9-enylcyclopentane-1-carboxamide is CCCCCCCCC=CCCCCCCCCC1(C(=O)NC2CCCCC2)CCCC1.
What is the InChIKey of N-cyclohexyl-1-octadec-9-enylcyclopentane-1-carboxamide?
The InChIKey is XIXWPNPDGAEXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H55NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-30(26-21-22-27-30)29(32)31-28-23-18-17-19-24-28/h9-10,28H,2-8,11-27H2,1H3,(H,31,32).
What are the key properties of N-cyclohexyl-1-octadec-9-enylcyclopentane-1-carboxamide?
N-cyclohexyl-1-octadec-9-enylcyclopentane-1-carboxamide has a molecular weight of 445.78 g/mol, XLogP of 9.42, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-octadec-9-enylcyclopentane-1-carboxamide is sourced from PubChem (CID 57184361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).