1-N-cyclopentyl-4-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide

C22H32N2O2 — CID 109145846

IUPAC1-N-cyclopentyl-4-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCCc1cccc(C)c1NC(=O)C1CCC(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C22H32N2O2/c1-3-16-8-6-7-15(2)20(16)24-22(26)18-13-11-17(12-14-18)21(25)23-19-9-4-5-10-19/h6-8,17-19H,3-5,9-14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyNRJCXXGABQSRQV-UHFFFAOYSA-N
MW356.51 g/mol
LogP4.36
Rot. Bonds5

About 1-N-cyclopentyl-4-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide

1-N-cyclopentyl-4-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109145846) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 1-N-cyclopentyl-4-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclopentyl-4-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109145846
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name1-N-cyclopentyl-4-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCCc1cccc(C)c1NC(=O)C1CCC(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C22H32N2O2/c1-3-16-8-6-7-15(2)20(16)24-22(26)18-13-11-17(12-14-18)21(25)23-19-9-4-5-10-19/h6-8,17-19H,3-5,9-14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyNRJCXXGABQSRQV-UHFFFAOYSA-N
XLogP4.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-(2-ethyl-6-methylphenyl)urea
CID 3326830
N-(2,6-diethylphenyl)cyclopropanecarboxamide
CID 5238371
4-N,4-N-diethyl-1-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149430
4-butyl-N-(2-ethyl-6-methylphenyl)cyclohexane-1-carboxamide
CID 19206885
3-amino-N-(2-ethyl-6-methylphenyl)cyclopentane-1-carboxamide
CID 66032656
N-cycloheptyl-N'-(2-ethyl-6-methylphenyl)-2,2-dimethylpropanediamide
CID 108966096
6-N-cyclopentyl-2-N-(2-ethyl-6-methylphenyl)pyridine-2,6-dicarboxamide
CID 109095024
1-N-cyclohexyl-4-N-(2,3-dimethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109146152
1-N-cyclohexyl-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109146141
N-(2-ethyl-6-methylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110015386
(2R)-N-(2-ethyl-6-methylphenyl)oxolane-2-carboxamide
CID 887643
N-(2-ethyl-6-methylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 60527195

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopentyl-4-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-cyclopentyl-4-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide (CID 109145846) is 1-N-cyclopentyl-4-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-cyclopentyl-4-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-cyclopentyl-4-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide is CCc1cccc(C)c1NC(=O)C1CCC(C(=O)NC2CCCC2)CC1.
What is the InChIKey of 1-N-cyclopentyl-4-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is NRJCXXGABQSRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-3-16-8-6-7-15(2)20(16)24-22(26)18-13-11-17(12-14-18)21(25)23-19-9-4-5-10-19/h6-8,17-19H,3-5,9-14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 1-N-cyclopentyl-4-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide?
1-N-cyclopentyl-4-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 356.51 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopentyl-4-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109145846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).