4-N-butyl-1-N-(4-chlorophenyl)-4-N-methylcyclohexane-1,4-dicarboxamide

C19H27ClN2O2 — CID 109149934

IUPAC4-N-butyl-1-N-(4-chlorophenyl)-4-N-methylcyclohexane-1,4-dicarboxamide
SMILESCCCCN(C)C(=O)C1CCC(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H27ClN2O2/c1-3-4-13-22(2)19(24)15-7-5-14(6-8-15)18(23)21-17-11-9-16(20)10-12-17/h9-12,14-15H,3-8,13H2,1-2H3,(H,21,23)
InChIKeyCUWSLNYCPCPNAW-UHFFFAOYSA-N
MW350.89 g/mol
LogP4.34
Rot. Bonds6

About 4-N-butyl-1-N-(4-chlorophenyl)-4-N-methylcyclohexane-1,4-dicarboxamide

4-N-butyl-1-N-(4-chlorophenyl)-4-N-methylcyclohexane-1,4-dicarboxamide (PubChem CID 109149934) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is 4-N-butyl-1-N-(4-chlorophenyl)-4-N-methylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-butyl-1-N-(4-chlorophenyl)-4-N-methylcyclohexane-1,4-dicarboxamide
PubChem CID109149934
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC Name4-N-butyl-1-N-(4-chlorophenyl)-4-N-methylcyclohexane-1,4-dicarboxamide
SMILESCCCCN(C)C(=O)C1CCC(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H27ClN2O2/c1-3-4-13-22(2)19(24)15-7-5-14(6-8-15)18(23)21-17-11-9-16(20)10-12-17/h9-12,14-15H,3-8,13H2,1-2H3,(H,21,23)
InChIKeyCUWSLNYCPCPNAW-UHFFFAOYSA-N
XLogP4.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(4-bromophenyl)-4-N-butyl-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109149942
4-N-butyl-4-N-methyl-1-N-(4-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109149950
N-butyl-1-[4-(cyclopropanecarbonylamino)benzoyl]-N-methylpiperidine-4-carboxamide
CID 55836292
4-N-butyl-1-N-[2-(3-chlorophenyl)ethyl]-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109149906
N-(4-chlorophenyl)-1-pentanoylpiperidine-4-carboxamide
CID 113007176
N-[(4-chlorophenyl)methyl]-4-(cyclopropanecarbonylamino)-N-methylbenzamide
CID 31987516
N-butyl-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 78798151
4-N-butyl-4-N-methyl-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149814
ethyl 2-[[4-[butyl(methyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109149984
N-[6-[2-[butyl(methyl)amino]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide
CID 53175000
4-butyl-N-[4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 19206977
N-(4-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027094

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-1-N-(4-chlorophenyl)-4-N-methylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-butyl-1-N-(4-chlorophenyl)-4-N-methylcyclohexane-1,4-dicarboxamide (CID 109149934) is 4-N-butyl-1-N-(4-chlorophenyl)-4-N-methylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-butyl-1-N-(4-chlorophenyl)-4-N-methylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-butyl-1-N-(4-chlorophenyl)-4-N-methylcyclohexane-1,4-dicarboxamide is CCCCN(C)C(=O)C1CCC(C(=O)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-N-butyl-1-N-(4-chlorophenyl)-4-N-methylcyclohexane-1,4-dicarboxamide?
The InChIKey is CUWSLNYCPCPNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O2/c1-3-4-13-22(2)19(24)15-7-5-14(6-8-15)18(23)21-17-11-9-16(20)10-12-17/h9-12,14-15H,3-8,13H2,1-2H3,(H,21,23).
What are the key properties of 4-N-butyl-1-N-(4-chlorophenyl)-4-N-methylcyclohexane-1,4-dicarboxamide?
4-N-butyl-1-N-(4-chlorophenyl)-4-N-methylcyclohexane-1,4-dicarboxamide has a molecular weight of 350.89 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-1-N-(4-chlorophenyl)-4-N-methylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109149934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).