1-(2-cyclohexyloxyethylcarbamoyl)cyclobutane-1-carboxylic acid

C14H23NO4 — CID 63833547

IUPAC1-(2-cyclohexyloxyethylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)NCCOC2CCCCC2)CCC1
InChIInChI=1S/C14H23NO4/c16-12(14(13(17)18)7-4-8-14)15-9-10-19-11-5-2-1-3-6-11/h11H,1-10H2,(H,15,16)(H,17,18)
InChIKeyNEAVWXCGNAFIQS-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.71
Rot. Bonds6

About 1-(2-cyclohexyloxyethylcarbamoyl)cyclobutane-1-carboxylic acid

1-(2-cyclohexyloxyethylcarbamoyl)cyclobutane-1-carboxylic acid (PubChem CID 63833547) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(2-cyclohexyloxyethylcarbamoyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclohexyloxyethylcarbamoyl)cyclobutane-1-carboxylic acid
PubChem CID63833547
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name1-(2-cyclohexyloxyethylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)NCCOC2CCCCC2)CCC1
InChIInChI=1S/C14H23NO4/c16-12(14(13(17)18)7-4-8-14)15-9-10-19-11-5-2-1-3-6-11/h11H,1-10H2,(H,15,16)(H,17,18)
InChIKeyNEAVWXCGNAFIQS-UHFFFAOYSA-N
XLogP1.71
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-(2-cycloheptyloxyethyl)cyclopentane-1-carboxamide
CID 119325369
1-amino-N-(2-cyclopentyloxyethyl)cyclopentane-1-carboxamide
CID 63827760
1-cyano-N-(2-cyclohexyloxyethyl)cyclopropane-1-carboxamide
CID 80593471
1-[(2-cyclohexyloxyethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451664
1-(2-cyclopentyloxyethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63832820
1-(2-ethoxyethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62096609
N-(2-cyclohexyloxyethyl)cyclohexanecarboxamide
CID 140689700
1-acetyl-N-(2-cycloheptyloxyethyl)-3-hydroxypiperidine-3-carboxamide
CID 128987745
1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 55261667
1-(aminomethyl)-N-(3-cyclohexyloxypropyl)cyclobutane-1-carboxamide
CID 115448369
1-(2-cyclohexyloxyethyl)-3-methylurea
CID 115588478
N-(2-cyclohexyloxyethyl)-2-(cyclopropylmethylamino)acetamide
CID 63826704

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyloxyethylcarbamoyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2-cyclohexyloxyethylcarbamoyl)cyclobutane-1-carboxylic acid (CID 63833547) is 1-(2-cyclohexyloxyethylcarbamoyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2-cyclohexyloxyethylcarbamoyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2-cyclohexyloxyethylcarbamoyl)cyclobutane-1-carboxylic acid is O=C(O)C1(C(=O)NCCOC2CCCCC2)CCC1.
What is the InChIKey of 1-(2-cyclohexyloxyethylcarbamoyl)cyclobutane-1-carboxylic acid?
The InChIKey is NEAVWXCGNAFIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c16-12(14(13(17)18)7-4-8-14)15-9-10-19-11-5-2-1-3-6-11/h11H,1-10H2,(H,15,16)(H,17,18).
What are the key properties of 1-(2-cyclohexyloxyethylcarbamoyl)cyclobutane-1-carboxylic acid?
1-(2-cyclohexyloxyethylcarbamoyl)cyclobutane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyloxyethylcarbamoyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 63833547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).