4-N,4-N-diethyl-1-N-(3,4,5-trimethoxyphenyl)cyclohexane-1,4-dicarboxamide

C21H32N2O5 — CID 109149494

IUPAC4-N,4-N-diethyl-1-N-(3,4,5-trimethoxyphenyl)cyclohexane-1,4-dicarboxamide
SMILESCCN(CC)C(=O)C1CCC(C(=O)Nc2cc(OC)c(OC)c(OC)c2)CC1
InChIInChI=1S/C21H32N2O5/c1-6-23(7-2)21(25)15-10-8-14(9-11-15)20(24)22-16-12-17(26-3)19(28-5)18(13-16)27-4/h12-15H,6-11H2,1-5H3,(H,22,24)
InChIKeyHPNAHWCBFCTBDY-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.33
Rot. Bonds8

About 4-N,4-N-diethyl-1-N-(3,4,5-trimethoxyphenyl)cyclohexane-1,4-dicarboxamide

4-N,4-N-diethyl-1-N-(3,4,5-trimethoxyphenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109149494) has the molecular formula C21H32N2O5 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1-N-(3,4,5-trimethoxyphenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N,4-N-diethyl-1-N-(3,4,5-trimethoxyphenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109149494
Molecular FormulaC21H32N2O5
Molecular Weight392.50 g/mol
Exact Mass392.23
IUPAC Name4-N,4-N-diethyl-1-N-(3,4,5-trimethoxyphenyl)cyclohexane-1,4-dicarboxamide
SMILESCCN(CC)C(=O)C1CCC(C(=O)Nc2cc(OC)c(OC)c(OC)c2)CC1
InChIInChI=1S/C21H32N2O5/c1-6-23(7-2)21(25)15-10-8-14(9-11-15)20(24)22-16-12-17(26-3)19(28-5)18(13-16)27-4/h12-15H,6-11H2,1-5H3,(H,22,24)
InChIKeyHPNAHWCBFCTBDY-UHFFFAOYSA-N
XLogP3.33
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4,5-trimethoxyphenyl)cyclopentanecarboxamide
CID 7741672
1-N-(3,5-dichlorophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149500
1-N-(4-tert-butylphenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149437
1-N-(4-acetylphenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149468
N-[4-(3,4,5-trimethoxyanilino)phenyl]cyclobutanecarboxamide
CID 112989494
ethyl 4-[[4-(diethylcarbamoyl)cyclohexanecarbonyl]amino]benzoate
CID 109149492
1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149490
methyl 4-chloro-3-[[4-(diethylcarbamoyl)cyclohexanecarbonyl]amino]benzoate
CID 109149474
2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide
CID 117093679
4-[4-(cyclopropanecarbonylamino)imidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide
CID 46390835
methyl 2-[[4-(diethylcarbamoyl)cyclohexanecarbonyl]amino]benzoate
CID 109149471
5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide
CID 110689736

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-1-N-(3,4,5-trimethoxyphenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N,4-N-diethyl-1-N-(3,4,5-trimethoxyphenyl)cyclohexane-1,4-dicarboxamide (CID 109149494) is 4-N,4-N-diethyl-1-N-(3,4,5-trimethoxyphenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N,4-N-diethyl-1-N-(3,4,5-trimethoxyphenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N,4-N-diethyl-1-N-(3,4,5-trimethoxyphenyl)cyclohexane-1,4-dicarboxamide is CCN(CC)C(=O)C1CCC(C(=O)Nc2cc(OC)c(OC)c(OC)c2)CC1.
What is the InChIKey of 4-N,4-N-diethyl-1-N-(3,4,5-trimethoxyphenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is HPNAHWCBFCTBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O5/c1-6-23(7-2)21(25)15-10-8-14(9-11-15)20(24)22-16-12-17(26-3)19(28-5)18(13-16)27-4/h12-15H,6-11H2,1-5H3,(H,22,24).
What are the key properties of 4-N,4-N-diethyl-1-N-(3,4,5-trimethoxyphenyl)cyclohexane-1,4-dicarboxamide?
4-N,4-N-diethyl-1-N-(3,4,5-trimethoxyphenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 392.50 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-1-N-(3,4,5-trimethoxyphenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109149494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).