4-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid

C19H26N2O4 — CID 120672752

IUPAC4-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C19H26N2O4/c1-12-5-4-6-13(2)17(12)20-16(22)11-21(3)18(23)14-7-9-15(10-8-14)19(24)25/h4-6,14-15H,7-11H2,1-3H3,(H,20,22)(H,24,25)
InChIKeyJODBDEAJIYANRU-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.59
Rot. Bonds5

About 4-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid

4-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120672752) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120672752
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name4-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C19H26N2O4/c1-12-5-4-6-13(2)17(12)20-16(22)11-21(3)18(23)14-7-9-15(10-8-14)19(24)25/h4-6,14-15H,7-11H2,1-3H3,(H,20,22)(H,24,25)
InChIKeyJODBDEAJIYANRU-UHFFFAOYSA-N
XLogP2.59
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 2650123
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 9431366
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclobutanecarboxamide
CID 7719861
4-N-benzyl-1-N-(2,6-dimethylphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109148309
3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119683098
(3S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 8501078
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119267842
(3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 31936453
1-(2-bromophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46581652
(3S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-(2-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 8620724
methyl 1-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 8754561
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 2672753

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid (CID 120672752) is 4-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid is Cc1cccc(C)c1NC(=O)CN(C)C(=O)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is JODBDEAJIYANRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-12-5-4-6-13(2)17(12)20-16(22)11-21(3)18(23)14-7-9-15(10-8-14)19(24)25/h4-6,14-15H,7-11H2,1-3H3,(H,20,22)(H,24,25).
What are the key properties of 4-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid?
4-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 346.43 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120672752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).