1-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid

C17H29NO3 — CID 43437222

IUPAC1-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESCCN(C(=O)CC1(C(=O)O)CCCCC1)C1CCCCC1
InChIInChI=1S/C17H29NO3/c1-2-18(14-9-5-3-6-10-14)15(19)13-17(16(20)21)11-7-4-8-12-17/h14H,2-13H2,1H3,(H,20,21)
InChIKeyCFLTYRGWSZBMQL-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.59
Rot. Bonds5

About 1-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid

1-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid (PubChem CID 43437222) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
PubChem CID43437222
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESCCN(C(=O)CC1(C(=O)O)CCCCC1)C1CCCCC1
InChIInChI=1S/C17H29NO3/c1-2-18(14-9-5-3-6-10-14)15(19)13-17(16(20)21)11-7-4-8-12-17/h14H,2-13H2,1H3,(H,20,21)
InChIKeyCFLTYRGWSZBMQL-UHFFFAOYSA-N
XLogP3.59
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 61403575
1-[2-[methyl-(3-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 61448226
1-[2-[methyl-(2-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 60953891
1-[[cyclohexyl(methyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 55056603
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
3-[cyclopropyl(ethyl)amino]-3-oxopropanoic acid
CID 62231745
1-[2-[ethyl(2-ethylbutyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43588235
N,N'-dicyclohexyl-N,N'-diethyltetradecanediamide
CID 20752264
N-cyclohexyl-N-ethylcyclobutanecarboxamide
CID 78833458
3-amino-N-cyclohexyl-N-ethylpropanamide
CID 16786481
1-[cyclohexyl(ethyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63145564

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid (CID 43437222) is 1-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid is CCN(C(=O)CC1(C(=O)O)CCCCC1)C1CCCCC1.
What is the InChIKey of 1-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The InChIKey is CFLTYRGWSZBMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-2-18(14-9-5-3-6-10-14)15(19)13-17(16(20)21)11-7-4-8-12-17/h14H,2-13H2,1H3,(H,20,21).
What are the key properties of 1-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
1-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid has a molecular weight of 295.42 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43437222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).