4-N-benzyl-1-N-pentyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide

C23H36N2O2 — CID 109149705

IUPAC4-N-benzyl-1-N-pentyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
SMILESCCCCCNC(=O)C1CCC(C(=O)N(Cc2ccccc2)C(C)C)CC1
InChIInChI=1S/C23H36N2O2/c1-4-5-9-16-24-22(26)20-12-14-21(15-13-20)23(27)25(18(2)3)17-19-10-7-6-8-11-19/h6-8,10-11,18,20-21H,4-5,9,12-17H2,1-3H3,(H,24,26)
InChIKeyCHKGYYRQPIWERY-UHFFFAOYSA-N
MW372.55 g/mol
LogP4.54
Rot. Bonds9

About 4-N-benzyl-1-N-pentyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide

4-N-benzyl-1-N-pentyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide (PubChem CID 109149705) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is 4-N-benzyl-1-N-pentyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-benzyl-1-N-pentyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
PubChem CID109149705
Molecular FormulaC23H36N2O2
Molecular Weight372.55 g/mol
Exact Mass372.28
IUPAC Name4-N-benzyl-1-N-pentyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
SMILESCCCCCNC(=O)C1CCC(C(=O)N(Cc2ccccc2)C(C)C)CC1
InChIInChI=1S/C23H36N2O2/c1-4-5-9-16-24-22(26)20-12-14-21(15-13-20)23(27)25(18(2)3)17-19-10-7-6-8-11-19/h6-8,10-11,18,20-21H,4-5,9,12-17H2,1-3H3,(H,24,26)
InChIKeyCHKGYYRQPIWERY-UHFFFAOYSA-N
XLogP4.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-benzyl-1-N-phenyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109149711
1-N-pentyl-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148218
1-benzyl-N-pentylpiperidine-4-carboxamide
CID 45011479
N-benzyl-4-(4-ethylpiperazine-1-carbonyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 109147520
3-amino-N-benzyl-N-propan-2-ylcyclopentane-1-carboxamide;hydrochloride
CID 119676287
N-pentyl-4-propan-2-ylcyclohexane-1-carboxamide
CID 166944629
N-benzyl-1-methylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 110700192
N-[3-[benzyl(methyl)amino]propyl]cyclopentanecarboxamide
CID 110461342
2-[benzyl-(2-phenylacetyl)amino]-N-pentylpropanamide
CID 133148977
4-N-[(2-chlorophenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109148482
4-N-[(2-methylphenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109148008
4-N-butyl-4-N-methyl-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149814

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-1-N-pentyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-benzyl-1-N-pentyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide (CID 109149705) is 4-N-benzyl-1-N-pentyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-benzyl-1-N-pentyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-benzyl-1-N-pentyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide is CCCCCNC(=O)C1CCC(C(=O)N(Cc2ccccc2)C(C)C)CC1.
What is the InChIKey of 4-N-benzyl-1-N-pentyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide?
The InChIKey is CHKGYYRQPIWERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O2/c1-4-5-9-16-24-22(26)20-12-14-21(15-13-20)23(27)25(18(2)3)17-19-10-7-6-8-11-19/h6-8,10-11,18,20-21H,4-5,9,12-17H2,1-3H3,(H,24,26).
What are the key properties of 4-N-benzyl-1-N-pentyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide?
4-N-benzyl-1-N-pentyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide has a molecular weight of 372.55 g/mol, XLogP of 4.54, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-1-N-pentyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109149705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).