1-N-benzyl-1-N-ethyl-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide

C23H36N2O2 — CID 109148640

IUPAC1-N-benzyl-1-N-ethyl-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide
SMILESCCCN(CCC)C(=O)C1CCC(C(=O)N(CC)Cc2ccccc2)CC1
InChIInChI=1S/C23H36N2O2/c1-4-16-25(17-5-2)23(27)21-14-12-20(13-15-21)22(26)24(6-3)18-19-10-8-7-9-11-19/h7-11,20-21H,4-6,12-18H2,1-3H3
InChIKeyJSHOAMOERBEJCF-UHFFFAOYSA-N
MW372.55 g/mol
LogP4.49
Rot. Bonds9

About 1-N-benzyl-1-N-ethyl-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide

1-N-benzyl-1-N-ethyl-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide (PubChem CID 109148640) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is 1-N-benzyl-1-N-ethyl-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-1-N-ethyl-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide
PubChem CID109148640
Molecular FormulaC23H36N2O2
Molecular Weight372.55 g/mol
Exact Mass372.28
IUPAC Name1-N-benzyl-1-N-ethyl-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide
SMILESCCCN(CCC)C(=O)C1CCC(C(=O)N(CC)Cc2ccccc2)CC1
InChIInChI=1S/C23H36N2O2/c1-4-16-25(17-5-2)23(27)21-14-12-20(13-15-21)22(26)24(6-3)18-19-10-8-7-9-11-19/h7-11,20-21H,4-6,12-18H2,1-3H3
InChIKeyJSHOAMOERBEJCF-UHFFFAOYSA-N
XLogP4.49
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 110755489
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CID 60666282
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propylcyclopropanecarboxamide
CID 4017696
N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutanecarboxamide
CID 78811308
N-benzyl-N-propylpiperidine-3-carboxamide
CID 43588657
(3S)-N-benzyl-N-propylpiperidine-3-carboxamide
CID 81123216
9-amino-N-benzyl-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983152
methyl 4-[benzyl(ethyl)carbamoyl]piperidine-1-carboxylate
CID 110754107
1-(benzenesulfonyl)-N-benzyl-N-propylpiperidine-4-carboxamide
CID 26292200
N-benzyl-N-ethyl-N',N'-dipropylpropanediamide
CID 108947326
1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 26415263

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-1-N-ethyl-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-benzyl-1-N-ethyl-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide (CID 109148640) is 1-N-benzyl-1-N-ethyl-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-1-N-ethyl-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-benzyl-1-N-ethyl-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide is CCCN(CCC)C(=O)C1CCC(C(=O)N(CC)Cc2ccccc2)CC1.
What is the InChIKey of 1-N-benzyl-1-N-ethyl-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide?
The InChIKey is JSHOAMOERBEJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O2/c1-4-16-25(17-5-2)23(27)21-14-12-20(13-15-21)22(26)24(6-3)18-19-10-8-7-9-11-19/h7-11,20-21H,4-6,12-18H2,1-3H3.
What are the key properties of 1-N-benzyl-1-N-ethyl-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide?
1-N-benzyl-1-N-ethyl-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide has a molecular weight of 372.55 g/mol, XLogP of 4.49, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-1-N-ethyl-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109148640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).