1-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide

C20H29ClN2O2 — CID 109149303

IUPAC1-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
SMILESCCN(CC)C(=O)C1CCC(C(=O)NCCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H29ClN2O2/c1-3-23(4-2)20(25)17-9-7-16(8-10-17)19(24)22-14-13-15-5-11-18(21)12-6-15/h5-6,11-12,16-17H,3-4,7-10,13-14H2,1-2H3,(H,22,24)
InChIKeyCIACKWLTDKHPGC-UHFFFAOYSA-N
MW364.92 g/mol
LogP3.67
Rot. Bonds7

About 1-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide

1-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide (PubChem CID 109149303) has the molecular formula C20H29ClN2O2 and a molecular weight of 364.92 g/mol. Its IUPAC name is 1-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
PubChem CID109149303
Molecular FormulaC20H29ClN2O2
Molecular Weight364.92 g/mol
Exact Mass364.19
IUPAC Name1-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
SMILESCCN(CC)C(=O)C1CCC(C(=O)NCCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H29ClN2O2/c1-3-23(4-2)20(25)17-9-7-16(8-10-17)19(24)22-14-13-15-5-11-18(21)12-6-15/h5-6,11-12,16-17H,3-4,7-10,13-14H2,1-2H3,(H,22,24)
InChIKeyCIACKWLTDKHPGC-UHFFFAOYSA-N
XLogP3.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
N-[2-(4-chlorophenyl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 112529064
4-N,4-N-diethyl-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109149058
N-[2-(4-chlorophenyl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 4072850
N-[3-(4-chlorophenyl)propyl]cyclopentanecarboxamide
CID 100733512
1-butanoyl-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 113005002
4-N,4-N-diethyl-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148420
N-[2-(4-chlorophenyl)ethyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide
CID 56921790
N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110853463
4-[2-(4-ethylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673281
N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]cyclohexanecarboxamide
CID 113056239
1-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147775

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide (CID 109149303) is 1-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide is CCN(CC)C(=O)C1CCC(C(=O)NCCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide?
The InChIKey is CIACKWLTDKHPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O2/c1-3-23(4-2)20(25)17-9-7-16(8-10-17)19(24)22-14-13-15-5-11-18(21)12-6-15/h5-6,11-12,16-17H,3-4,7-10,13-14H2,1-2H3,(H,22,24).
What are the key properties of 1-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide?
1-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide has a molecular weight of 364.92 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(4-chlorophenyl)ethyl]-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109149303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).