4-N-(2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide

C18H26N2O3 — CID 109144383

IUPAC4-N-(2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
SMILESCCCNC(=O)C1CCC(C(=O)Nc2ccccc2OC)CC1
InChIInChI=1S/C18H26N2O3/c1-3-12-19-17(21)13-8-10-14(11-9-13)18(22)20-15-6-4-5-7-16(15)23-2/h4-7,13-14H,3,8-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyXPCFADDHGPVZGD-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.97
Rot. Bonds6

About 4-N-(2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide

4-N-(2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide (PubChem CID 109144383) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-N-(2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
PubChem CID109144383
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name4-N-(2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
SMILESCCCNC(=O)C1CCC(C(=O)Nc2ccccc2OC)CC1
InChIInChI=1S/C18H26N2O3/c1-3-12-19-17(21)13-8-10-14(11-9-13)18(22)20-15-6-4-5-7-16(15)23-2/h4-7,13-14H,3,8-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyXPCFADDHGPVZGD-UHFFFAOYSA-N
XLogP2.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151014
4-N-(5-chloro-2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144380
N-[2-(2-methoxyanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687182
4-N-(2-chlorophenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150938
4-(aminomethyl)-N-(2-methoxyphenyl)cyclohexane-1-carboxamide
CID 79527313
4-N-(2-methoxyphenyl)-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148921
1-N-(2-methoxyphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144578
N-[2-(2-methoxyanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112998571
1-N-(2-methoxyphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109140052
N-(2-methoxyphenyl)-1-(2-methylbutyl)piperidine-4-carboxamide
CID 154750133
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
4-N-(4-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144385

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide (CID 109144383) is 4-N-(2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide is CCCNC(=O)C1CCC(C(=O)Nc2ccccc2OC)CC1.
What is the InChIKey of 4-N-(2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide?
The InChIKey is XPCFADDHGPVZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-3-12-19-17(21)13-8-10-14(11-9-13)18(22)20-15-6-4-5-7-16(15)23-2/h4-7,13-14H,3,8-12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 4-N-(2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide?
4-N-(2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109144383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).