1-[2-[methyl-(3-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid

C17H29NO3 — CID 61448226

IUPAC1-[2-[methyl-(3-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESCC1CCCC(N(C)C(=O)CC2(C(=O)O)CCCCC2)C1
InChIInChI=1S/C17H29NO3/c1-13-7-6-8-14(11-13)18(2)15(19)12-17(16(20)21)9-4-3-5-10-17/h13-14H,3-12H2,1-2H3,(H,20,21)
InChIKeyZKVNHJGILUPKBF-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.45
Rot. Bonds4

About 1-[2-[methyl-(3-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid

1-[2-[methyl-(3-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid (PubChem CID 61448226) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-[2-[methyl-(3-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[methyl-(3-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
PubChem CID61448226
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-[2-[methyl-(3-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESCC1CCCC(N(C)C(=O)CC2(C(=O)O)CCCCC2)C1
InChIInChI=1S/C17H29NO3/c1-13-7-6-8-14(11-13)18(2)15(19)12-17(16(20)21)9-4-3-5-10-17/h13-14H,3-12H2,1-2H3,(H,20,21)
InChIKeyZKVNHJGILUPKBF-UHFFFAOYSA-N
XLogP3.45
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-[methyl-(3-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[methyl-(2-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 60953891
1-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43437222
1-[2-[(1-ethylpiperidin-4-yl)-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43578322
1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 63880287
3-[[methyl-(3-methylcyclohexyl)amino]methyl]oxane-3-carboxylic acid
CID 55242439
1-[[cyclohexyl(methyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 55056603
N-methyl-N-[(3S)-3-methylcyclohexyl]acetamide
CID 169132453
3-amino-N-methyl-N-(3-methylcyclohexyl)butanamide
CID 61447077
1-[2-[methyl(propyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43437249
2-(cyclopentylamino)-N-methyl-N-(3-methylcyclohexyl)acetamide
CID 54948955
4-hydroxy-N-methyl-N-(3-methylcyclohexyl)pentanamide
CID 79192365
4-ethyl-N-methyl-N-(3-methylcyclohexyl)piperidine-4-carboxamide
CID 55178174

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-(3-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2-[methyl-(3-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid (CID 61448226) is 1-[2-[methyl-(3-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[methyl-(3-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2-[methyl-(3-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid is CC1CCCC(N(C)C(=O)CC2(C(=O)O)CCCCC2)C1.
What is the InChIKey of 1-[2-[methyl-(3-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The InChIKey is ZKVNHJGILUPKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-13-7-6-8-14(11-13)18(2)15(19)12-17(16(20)21)9-4-3-5-10-17/h13-14H,3-12H2,1-2H3,(H,20,21).
What are the key properties of 1-[2-[methyl-(3-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
1-[2-[methyl-(3-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid has a molecular weight of 295.42 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-(3-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61448226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).