4-N-butyl-4-N-methyl-1-N-pentylcyclohexane-1,4-dicarboxamide

C18H34N2O2 — CID 109149814

IUPAC4-N-butyl-4-N-methyl-1-N-pentylcyclohexane-1,4-dicarboxamide
SMILESCCCCCNC(=O)C1CCC(C(=O)N(C)CCCC)CC1
InChIInChI=1S/C18H34N2O2/c1-4-6-8-13-19-17(21)15-9-11-16(12-10-15)18(22)20(3)14-7-5-2/h15-16H,4-14H2,1-3H3,(H,19,21)
InChIKeyLUWQEKAXBKREIC-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.36
Rot. Bonds9

About 4-N-butyl-4-N-methyl-1-N-pentylcyclohexane-1,4-dicarboxamide

4-N-butyl-4-N-methyl-1-N-pentylcyclohexane-1,4-dicarboxamide (PubChem CID 109149814) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is 4-N-butyl-4-N-methyl-1-N-pentylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-butyl-4-N-methyl-1-N-pentylcyclohexane-1,4-dicarboxamide
PubChem CID109149814
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Name4-N-butyl-4-N-methyl-1-N-pentylcyclohexane-1,4-dicarboxamide
SMILESCCCCCNC(=O)C1CCC(C(=O)N(C)CCCC)CC1
InChIInChI=1S/C18H34N2O2/c1-4-6-8-13-19-17(21)15-9-11-16(12-10-15)18(22)20(3)14-7-5-2/h15-16H,4-14H2,1-3H3,(H,19,21)
InChIKeyLUWQEKAXBKREIC-UHFFFAOYSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-N-butyl-4-N-methyl-1-N-pentylcyclohexane-1,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-butyl-1-N-[2-(3-chlorophenyl)ethyl]-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109149906
N-[2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide
CID 111159219
N-pentyl-4-propan-2-ylcyclohexane-1-carboxamide
CID 166944629
4-N-butyl-4-N-methyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148692
1-N-(4-bromophenyl)-4-N-butyl-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109149942
4-N-butyl-1-N-(4-chlorophenyl)-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109149934
1-N-butyl-1-N-methyl-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130498
4-N-[2-(dimethylamino)ethyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147025
4-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149349
N-[4-(butylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 3067803
4-N-benzyl-1-N-pentyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109149705
N-butyl-N-methyloxetane-3-carboxamide
CID 176663831

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-4-N-methyl-1-N-pentylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-butyl-4-N-methyl-1-N-pentylcyclohexane-1,4-dicarboxamide (CID 109149814) is 4-N-butyl-4-N-methyl-1-N-pentylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-butyl-4-N-methyl-1-N-pentylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-butyl-4-N-methyl-1-N-pentylcyclohexane-1,4-dicarboxamide is CCCCCNC(=O)C1CCC(C(=O)N(C)CCCC)CC1.
What is the InChIKey of 4-N-butyl-4-N-methyl-1-N-pentylcyclohexane-1,4-dicarboxamide?
The InChIKey is LUWQEKAXBKREIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-4-6-8-13-19-17(21)15-9-11-16(12-10-15)18(22)20(3)14-7-5-2/h15-16H,4-14H2,1-3H3,(H,19,21).
What are the key properties of 4-N-butyl-4-N-methyl-1-N-pentylcyclohexane-1,4-dicarboxamide?
4-N-butyl-4-N-methyl-1-N-pentylcyclohexane-1,4-dicarboxamide has a molecular weight of 310.48 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-4-N-methyl-1-N-pentylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109149814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).