4-N-[(4-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide

C20H29ClN2O2 — CID 109148509

IUPAC4-N-[(4-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
SMILESCC(C)CCNC(=O)C1CCC(C(=O)NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H29ClN2O2/c1-14(2)11-12-22-19(24)16-5-7-17(8-6-16)20(25)23-13-15-3-9-18(21)10-4-15/h3-4,9-10,14,16-17H,5-8,11-13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyGPFSCPKQORDGDE-UHFFFAOYSA-N
MW364.92 g/mol
LogP3.92
Rot. Bonds7

About 4-N-[(4-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide

4-N-[(4-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109148509) has the molecular formula C20H29ClN2O2 and a molecular weight of 364.92 g/mol. Its IUPAC name is 4-N-[(4-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(4-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
PubChem CID109148509
Molecular FormulaC20H29ClN2O2
Molecular Weight364.92 g/mol
Exact Mass364.19
IUPAC Name4-N-[(4-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
SMILESCC(C)CCNC(=O)C1CCC(C(=O)NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H29ClN2O2/c1-14(2)11-12-22-19(24)16-5-7-17(8-6-16)20(25)23-13-15-3-9-18(21)10-4-15/h3-4,9-10,14,16-17H,5-8,11-13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyGPFSCPKQORDGDE-UHFFFAOYSA-N
XLogP3.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(3-methylbutyl)-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148148
(3R)-1-[(4-chlorophenyl)methyl]-N-(3-methylbutyl)piperidine-3-carboxamide
CID 92851220
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
CID 109149096
N-[2-[1-(4-chlorophenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide
CID 103910232
N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 74889868
4-N-[(4-chlorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 113004292
1-[(4-chlorophenyl)methyl]-3-(3-methylbutyl)thiourea
CID 19652193
4-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672608
4-N-(3-methylbutyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144333
N-[(4-chlorophenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147370
1-[(4-ethylphenyl)methyl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 795830

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-[(4-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide (CID 109148509) is 4-N-[(4-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(4-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(4-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide is CC(C)CCNC(=O)C1CCC(C(=O)NCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-N-[(4-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is GPFSCPKQORDGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O2/c1-14(2)11-12-22-19(24)16-5-7-17(8-6-16)20(25)23-13-15-3-9-18(21)10-4-15/h3-4,9-10,14,16-17H,5-8,11-13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 4-N-[(4-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide?
4-N-[(4-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 364.92 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109148509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).