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

C17H29NO3 — CID 60953891

IUPAC1-[2-[methyl-(2-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESCC1CCCCC1N(C)C(=O)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C17H29NO3/c1-13-8-4-5-9-14(13)18(2)15(19)12-17(16(20)21)10-6-3-7-11-17/h13-14H,3-12H2,1-2H3,(H,20,21)
InChIKeyPHCCYZYGPBXVOR-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.45
Rot. Bonds4

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

1-[2-[methyl-(2-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid (PubChem CID 60953891) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-[2-[methyl-(2-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[methyl-(2-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
PubChem CID60953891
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-[2-[methyl-(2-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESCC1CCCCC1N(C)C(=O)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C17H29NO3/c1-13-8-4-5-9-14(13)18(2)15(19)12-17(16(20)21)10-6-3-7-11-17/h13-14H,3-12H2,1-2H3,(H,20,21)
InChIKeyPHCCYZYGPBXVOR-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

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Related Compounds

2-(1-aminocyclopentyl)-N-methyl-N-(2-methylcyclohexyl)acetamide
CID 64685881
1-[2-[methyl-(3-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 61448226
N-methyl-N-(2-methylcyclohexyl)propanamide
CID 60735521
1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 63880287
1-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43437222
1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43529605
1-[2-[(1-ethylpiperidin-4-yl)-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43578322
1-[2-[methyl(propyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43437249
2-(cyclopentylamino)-N-methyl-N-(2-methylcyclohexyl)acetamide
CID 60939306
1-[2-[(2-methylcyclopentyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 63278195
1-[[cyclohexyl(methyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 55056603
N-(1,3-dimethylpiperidin-4-yl)-2-(1-hydroxycyclohexyl)-N-methylacetamide
CID 111540189

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-(2-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2-[methyl-(2-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid (CID 60953891) is 1-[2-[methyl-(2-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[methyl-(2-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2-[methyl-(2-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid is CC1CCCCC1N(C)C(=O)CC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[2-[methyl-(2-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The InChIKey is PHCCYZYGPBXVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-13-8-4-5-9-14(13)18(2)15(19)12-17(16(20)21)10-6-3-7-11-17/h13-14H,3-12H2,1-2H3,(H,20,21).
What are the key properties of 1-[2-[methyl-(2-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
1-[2-[methyl-(2-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-(2-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60953891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).