3-[2-ethoxyethyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid

C14H25NO4 — CID 55237345

IUPAC3-[2-ethoxyethyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCOCCN(CC)C(=O)C1CCCC(C(=O)O)C1
InChIInChI=1S/C14H25NO4/c1-3-15(8-9-19-4-2)13(16)11-6-5-7-12(10-11)14(17)18/h11-12H,3-10H2,1-2H3,(H,17,18)
InChIKeyPXYXXFSQLMLGAT-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.76
Rot. Bonds7

About 3-[2-ethoxyethyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid

3-[2-ethoxyethyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 55237345) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[2-ethoxyethyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[2-ethoxyethyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID55237345
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name3-[2-ethoxyethyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCOCCN(CC)C(=O)C1CCCC(C(=O)O)C1
InChIInChI=1S/C14H25NO4/c1-3-15(8-9-19-4-2)13(16)11-6-5-7-12(10-11)14(17)18/h11-12H,3-10H2,1-2H3,(H,17,18)
InChIKeyPXYXXFSQLMLGAT-UHFFFAOYSA-N
XLogP1.76
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-ethoxyethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 81061705
N-(2-ethoxyethyl)-N-ethylcyclopropanecarboxamide
CID 63717858
3-amino-N,N-bis(2-ethoxyethyl)cyclohexane-1-carboxamide
CID 82959930
3-[3-(dimethylamino)propyl-ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 102995766
3-[ethyl(2-ethylbutyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784340
3-[ethyl(3-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103551173
3-[bis(2-hydroxyethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783484
(2S)-N-(2-ethoxyethyl)-N-ethylpiperidine-2-carboxamide
CID 103809901
1-[2-ethoxyethyl(ethyl)carbamoyl]piperidine-2-carboxylic acid
CID 55228473
4-amino-N,N-bis(2-ethoxyethyl)cyclohexane-1-carboxamide
CID 82960257
3-[ethyl(2-methylprop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549871
3-[2-methoxyethyl(3-methoxypropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550455

Frequently Asked Questions

What is the IUPAC name of 3-[2-ethoxyethyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[2-ethoxyethyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 55237345) is 3-[2-ethoxyethyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[2-ethoxyethyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[2-ethoxyethyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid is CCOCCN(CC)C(=O)C1CCCC(C(=O)O)C1.
What is the InChIKey of 3-[2-ethoxyethyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is PXYXXFSQLMLGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-3-15(8-9-19-4-2)13(16)11-6-5-7-12(10-11)14(17)18/h11-12H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 3-[2-ethoxyethyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid?
3-[2-ethoxyethyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethoxyethyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 55237345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).