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

C18H26N2O3 — CID 109144385

IUPAC4-N-(4-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
SMILESCCCNC(=O)C1CCC(C(=O)Nc2ccc(OC)cc2)CC1
InChIInChI=1S/C18H26N2O3/c1-3-12-19-17(21)13-4-6-14(7-5-13)18(22)20-15-8-10-16(23-2)11-9-15/h8-11,13-14H,3-7,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyWTLMGOJHJVWAOH-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.97
Rot. Bonds6

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

4-N-(4-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide (PubChem CID 109144385) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-N-(4-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
PubChem CID109144385
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name4-N-(4-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
SMILESCCCNC(=O)C1CCC(C(=O)Nc2ccc(OC)cc2)CC1
InChIInChI=1S/C18H26N2O3/c1-3-12-19-17(21)13-4-6-14(7-5-13)18(22)20-15-8-10-16(23-2)11-9-15/h8-11,13-14H,3-7,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyWTLMGOJHJVWAOH-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-(4-bromophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144381
4-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109149176
4-N-(4-phenylmethoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144415
4-butyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 19206890
N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]ethyl]cyclopropanecarboxamide
CID 115571333
4-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 54928395
N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide
CID 8935452
N-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145697
1-N-cyclopentyl-4-N-(4-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109145869
4-N-(2-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144383
N-[4-(4-methoxyanilino)phenyl]cyclohexanecarboxamide
CID 112987504
4-N-(4-ethoxyphenyl)-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
CID 109149768

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(4-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide (CID 109144385) is 4-N-(4-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(4-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide is CCCNC(=O)C1CCC(C(=O)Nc2ccc(OC)cc2)CC1.
What is the InChIKey of 4-N-(4-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide?
The InChIKey is WTLMGOJHJVWAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-3-12-19-17(21)13-4-6-14(7-5-13)18(22)20-15-8-10-16(23-2)11-9-15/h8-11,13-14H,3-7,12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 4-N-(4-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide?
4-N-(4-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-(4-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109144385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).