1-[2-[(2,2-dimethylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid

C17H29NO3 — CID 79856385

IUPAC1-[2-[(2,2-dimethylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESCC1(C)CCCCC1NC(=O)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C17H29NO3/c1-16(2)9-7-4-8-13(16)18-14(19)12-17(15(20)21)10-5-3-6-11-17/h13H,3-12H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyDOWDNBFIVVOKJP-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.50
Rot. Bonds4

About 1-[2-[(2,2-dimethylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid

1-[2-[(2,2-dimethylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid (PubChem CID 79856385) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-[2-[(2,2-dimethylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2,2-dimethylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
PubChem CID79856385
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-[2-[(2,2-dimethylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESCC1(C)CCCCC1NC(=O)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C17H29NO3/c1-16(2)9-7-4-8-13(16)18-14(19)12-17(15(20)21)10-5-3-6-11-17/h13H,3-12H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyDOWDNBFIVVOKJP-UHFFFAOYSA-N
XLogP3.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-oxo-2-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]cyclohexane-1-carboxylic acid
CID 79358096
1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43529605
1-[2-[(3,3-dimethylcyclopentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 114543563
3-[(2,2-dimethylcyclopentyl)amino]-3-oxopropanoic acid
CID 79873237
N-(2,2-dimethylcyclopentyl)propanamide;ethane
CID 171523007
3-chloro-N-(2,2-dimethylcyclohexyl)propanamide
CID 79870321
1-[2-[(2-methylcyclopentyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 63278195
4-amino-N-(2,2-dimethylcyclohexyl)pentanamide;hydrochloride
CID 120562889
(2R)-2-amino-N-(2,2-dimethylcyclohexyl)butanamide
CID 79878292
2-(cyclopropylmethylamino)-N-(2,2-dimethylcyclohexyl)acetamide
CID 79878630
1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclobutane-1-carboxamide
CID 80598318
2-chloro-N-(2,2-dimethylcyclopentyl)acetamide
CID 79872044

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,2-dimethylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2-[(2,2-dimethylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid (CID 79856385) is 1-[2-[(2,2-dimethylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[(2,2-dimethylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2-[(2,2-dimethylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid is CC1(C)CCCCC1NC(=O)CC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[2-[(2,2-dimethylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The InChIKey is DOWDNBFIVVOKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-16(2)9-7-4-8-13(16)18-14(19)12-17(15(20)21)10-5-3-6-11-17/h13H,3-12H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 1-[2-[(2,2-dimethylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
1-[2-[(2,2-dimethylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid has a molecular weight of 295.42 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,2-dimethylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79856385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).