4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid

C15H28N2O4 — CID 102630793

IUPAC4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid
SMILESCOCCNC(=O)CNC1CCC(C(=O)O)C(C)(C)C1C
InChIInChI=1S/C15H28N2O4/c1-10-12(17-9-13(18)16-7-8-21-4)6-5-11(14(19)20)15(10,2)3/h10-12,17H,5-9H2,1-4H3,(H,16,18)(H,19,20)
InChIKeyOLVZSVUCFQBVHH-UHFFFAOYSA-N
MW300.40 g/mol
LogP0.86
Rot. Bonds7

About 4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid

4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid (PubChem CID 102630793) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid
PubChem CID102630793
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid
SMILESCOCCNC(=O)CNC1CCC(C(=O)O)C(C)(C)C1C
InChIInChI=1S/C15H28N2O4/c1-10-12(17-9-13(18)16-7-8-21-4)6-5-11(14(19)20)15(10,2)3/h10-12,17H,5-9H2,1-4H3,(H,16,18)(H,19,20)
InChIKeyOLVZSVUCFQBVHH-UHFFFAOYSA-N
XLogP0.86
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2-[(2-methylcyclopropyl)amino]acetamide
CID 62396936
4-[2-(2-hydroxyethoxy)ethylamino]-2,2,3-trimethylcyclohexane-1-carboxylic acid
CID 102630855
4-(2-methoxyethylsulfonylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid
CID 102627799
4-(cyclobutylmethylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid
CID 102630777
N-(2-methoxyethyl)-2-[(2-methylcyclohexyl)amino]acetamide
CID 60646854
4-(cycloheptylmethylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid
CID 102631085
2,2,3-trimethyl-4-[2-(3-methylbutoxy)ethylamino]cyclohexane-1-carboxylic acid
CID 102630885
2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-(2-methoxyethyl)acetamide
CID 115977450
2,2,3-trimethyl-4-(propylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 102627697
2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2-methoxyethyl)acetamide
CID 115707984
2,2,3-trimethyl-4-(2-methylpropanoylamino)cyclohexane-1-carboxylic acid
CID 102627481
2-[(2,2-dimethyloxan-4-yl)amino]-N-(2-methoxyethyl)acetamide
CID 83032655

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid (CID 102630793) is 4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid is COCCNC(=O)CNC1CCC(C(=O)O)C(C)(C)C1C.
What is the InChIKey of 4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid?
The InChIKey is OLVZSVUCFQBVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-10-12(17-9-13(18)16-7-8-21-4)6-5-11(14(19)20)15(10,2)3/h10-12,17H,5-9H2,1-4H3,(H,16,18)(H,19,20).
What are the key properties of 4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid?
4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid has a molecular weight of 300.40 g/mol, XLogP of 0.86, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 102630793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).