4-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide

C20H28N2O4 — CID 109144703

IUPAC4-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
SMILESCOc1ccc(CNC(=O)C2CCC(C(=O)NC3CC3)CC2)cc1OC
InChIInChI=1S/C20H28N2O4/c1-25-17-10-3-13(11-18(17)26-2)12-21-19(23)14-4-6-15(7-5-14)20(24)22-16-8-9-16/h3,10-11,14-16H,4-9,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyJSSRYQOMFYKUFU-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.40
Rot. Bonds7

About 4-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide

4-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide (PubChem CID 109144703) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 4-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
PubChem CID109144703
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name4-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
SMILESCOc1ccc(CNC(=O)C2CCC(C(=O)NC3CC3)CC2)cc1OC
InChIInChI=1S/C20H28N2O4/c1-25-17-10-3-13(11-18(17)26-2)12-21-19(23)14-4-6-15(7-5-14)20(24)22-16-8-9-16/h3,10-11,14-16H,4-9,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyJSSRYQOMFYKUFU-UHFFFAOYSA-N
XLogP2.40
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide with MolForge

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Related Compounds

1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 54777189
1-N-cyclohexyl-2-N-[(3,4-dimethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109132413
N-[(3-amino-4-methoxyphenyl)methyl]cyclopropanecarboxamide
CID 60972239
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide
CID 9325326
N-[(3,4-dimethoxyphenyl)methyl]azepane-4-carboxamide;hydrochloride
CID 154911557
N-[(3-ethoxy-4-methoxyphenyl)methyl]cyclopentanecarboxamide
CID 99133680
3-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109050721
N-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentanecarboxamide
CID 110781731
(1S,2S,3S,4R)-3-[(3,4-dimethoxyphenyl)methylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylate
CID 11922455
N-[(3,4-dimethoxyphenyl)methyl]-2-iodocyclopropane-1-carboxamide
CID 78158837
trans-(1S,2S)-2-[(3,4-dimethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylate
CID 6957823
methyl 5-[(cyclobutanecarbonylamino)methyl]-2-methoxybenzoate
CID 27817531

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide (CID 109144703) is 4-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide is COc1ccc(CNC(=O)C2CCC(C(=O)NC3CC3)CC2)cc1OC.
What is the InChIKey of 4-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide?
The InChIKey is JSSRYQOMFYKUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-25-17-10-3-13(11-18(17)26-2)12-21-19(23)14-4-6-15(7-5-14)20(24)22-16-8-9-16/h3,10-11,14-16H,4-9,12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 4-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide?
4-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide has a molecular weight of 360.45 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109144703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).