N-(cyclohexylmethyl)-2-(cyclohexylmethylamino)cyclopentene-1-carboxamide

C20H34N2O — CID 78324057

IUPACN-(cyclohexylmethyl)-2-(cyclohexylmethylamino)cyclopentene-1-carboxamide
SMILESO=C(NCC1CCCCC1)C1=C(NCC2CCCCC2)CCC1
InChIInChI=1S/C20H34N2O/c23-20(22-15-17-10-5-2-6-11-17)18-12-7-13-19(18)21-14-16-8-3-1-4-9-16/h16-17,21H,1-15H2,(H,22,23)
InChIKeyIOAHIDFHUTUYJS-UHFFFAOYSA-N
MW318.51 g/mol
LogP4.29
Rot. Bonds6

About N-(cyclohexylmethyl)-2-(cyclohexylmethylamino)cyclopentene-1-carboxamide

N-(cyclohexylmethyl)-2-(cyclohexylmethylamino)cyclopentene-1-carboxamide (PubChem CID 78324057) has the molecular formula C20H34N2O and a molecular weight of 318.51 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(cyclohexylmethylamino)cyclopentene-1-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(cyclohexylmethylamino)cyclopentene-1-carboxamide
PubChem CID78324057
Molecular FormulaC20H34N2O
Molecular Weight318.51 g/mol
Exact Mass318.27
IUPAC NameN-(cyclohexylmethyl)-2-(cyclohexylmethylamino)cyclopentene-1-carboxamide
SMILESO=C(NCC1CCCCC1)C1=C(NCC2CCCCC2)CCC1
InChIInChI=1S/C20H34N2O/c23-20(22-15-17-10-5-2-6-11-17)18-12-7-13-19(18)21-14-16-8-3-1-4-9-16/h16-17,21H,1-15H2,(H,22,23)
InChIKeyIOAHIDFHUTUYJS-UHFFFAOYSA-N
XLogP4.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(cyclohexylmethylamino)cyclopentene-1-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-2-(cyclohexylmethylamino)cyclopentene-1-carboxamide (CID 78324057) is N-(cyclohexylmethyl)-2-(cyclohexylmethylamino)cyclopentene-1-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(cyclohexylmethylamino)cyclopentene-1-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-(cyclohexylmethylamino)cyclopentene-1-carboxamide is O=C(NCC1CCCCC1)C1=C(NCC2CCCCC2)CCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(cyclohexylmethylamino)cyclopentene-1-carboxamide?
The InChIKey is IOAHIDFHUTUYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O/c23-20(22-15-17-10-5-2-6-11-17)18-12-7-13-19(18)21-14-16-8-3-1-4-9-16/h16-17,21H,1-15H2,(H,22,23).
What are the key properties of N-(cyclohexylmethyl)-2-(cyclohexylmethylamino)cyclopentene-1-carboxamide?
N-(cyclohexylmethyl)-2-(cyclohexylmethylamino)cyclopentene-1-carboxamide has a molecular weight of 318.51 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(cyclohexylmethylamino)cyclopentene-1-carboxamide is sourced from PubChem (CID 78324057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).