4-N,4-N-diethyl-1-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide

C21H32N2O2 — CID 109149430

IUPAC4-N,4-N-diethyl-1-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCCc1cccc(C)c1NC(=O)C1CCC(C(=O)N(CC)CC)CC1
InChIInChI=1S/C21H32N2O2/c1-5-16-10-8-9-15(4)19(16)22-20(24)17-11-13-18(14-12-17)21(25)23(6-2)7-3/h8-10,17-18H,5-7,11-14H2,1-4H3,(H,22,24)
InChIKeyAXKOPYCWRWXBDN-UHFFFAOYSA-N
MW344.50 g/mol
LogP4.17
Rot. Bonds6

About 4-N,4-N-diethyl-1-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide

4-N,4-N-diethyl-1-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109149430) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N,4-N-diethyl-1-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide
PubChem CID109149430
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name4-N,4-N-diethyl-1-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide
SMILESCCc1cccc(C)c1NC(=O)C1CCC(C(=O)N(CC)CC)CC1
InChIInChI=1S/C21H32N2O2/c1-5-16-10-8-9-15(4)19(16)22-20(24)17-11-13-18(14-12-17)21(25)23(6-2)7-3/h8-10,17-18H,5-7,11-14H2,1-4H3,(H,22,24)
InChIKeyAXKOPYCWRWXBDN-UHFFFAOYSA-N
XLogP4.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N,4-N-diethyl-1-N-(2-methyl-6-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149435
1-N,1-N-diethyl-2-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139318
N-(2,6-diethylphenyl)cyclopropanecarboxamide
CID 5238371
4-N,4-N-diethyl-1-N-(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149427
1-N-cyclopentyl-4-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145846
4-butyl-N-(2-ethyl-6-methylphenyl)cyclohexane-1-carboxamide
CID 19206885
3-amino-N-(2-ethyl-6-methylphenyl)cyclopentane-1-carboxamide
CID 66032656
N-(2-ethyl-6-methylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384738
N-(2-ethyl-6-methylphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147639
N-(2-ethyl-6-methylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110015386
N-(2-ethyl-6-methylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 60527195
N-(2-ethyl-6-methylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 113006744

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-1-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N,4-N-diethyl-1-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide (CID 109149430) is 4-N,4-N-diethyl-1-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N,4-N-diethyl-1-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N,4-N-diethyl-1-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide is CCc1cccc(C)c1NC(=O)C1CCC(C(=O)N(CC)CC)CC1.
What is the InChIKey of 4-N,4-N-diethyl-1-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is AXKOPYCWRWXBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-5-16-10-8-9-15(4)19(16)22-20(24)17-11-13-18(14-12-17)21(25)23(6-2)7-3/h8-10,17-18H,5-7,11-14H2,1-4H3,(H,22,24).
What are the key properties of 4-N,4-N-diethyl-1-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide?
4-N,4-N-diethyl-1-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 344.50 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-1-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109149430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).