4-(3-cyclopentyloxypropylcarbamoyl)cyclohexane-1-carboxylic acid

C16H27NO4 — CID 120674146

IUPAC4-(3-cyclopentyloxypropylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCCCOC2CCCC2)CC1
InChIInChI=1S/C16H27NO4/c18-15(12-6-8-13(9-7-12)16(19)20)17-10-3-11-21-14-4-1-2-5-14/h12-14H,1-11H2,(H,17,18)(H,19,20)
InChIKeyFXWBSZAOTACPLE-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.34
Rot. Bonds7

About 4-(3-cyclopentyloxypropylcarbamoyl)cyclohexane-1-carboxylic acid

4-(3-cyclopentyloxypropylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 120674146) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-(3-cyclopentyloxypropylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-cyclopentyloxypropylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID120674146
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name4-(3-cyclopentyloxypropylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCCCOC2CCCC2)CC1
InChIInChI=1S/C16H27NO4/c18-15(12-6-8-13(9-7-12)16(19)20)17-10-3-11-21-14-4-1-2-5-14/h12-14H,1-11H2,(H,17,18)(H,19,20)
InChIKeyFXWBSZAOTACPLE-UHFFFAOYSA-N
XLogP2.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyclopentyloxypropyl)piperidine-4-carboxamide;hydrochloride
CID 119309020
4-[3-(oxolan-3-yloxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674287
N-(3-piperidin-4-yloxypropyl)cycloheptanecarboxamide
CID 63869278
trans-(1S,2S)-2-(3-cyclohexyloxypropylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93365859
N-(2-cyclohexyloxyethyl)cyclohexanecarboxamide
CID 140689700
N-(3-cyclohexyloxypropyl)oxolane-3-carboxamide
CID 86850695
1-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 119908413
3-(3-cyclopentyloxypropylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 48913394
4-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673678
N-(3-cyclopentyloxypropyl)-1-(dimethylsulfamoyl)piperidine-4-carboxamide
CID 70702982
N-(2-cyclopentyloxyethyl)piperidine-4-carboxamide
CID 63828643
4-(7-methyloctylcarbamoyl)cyclohexane-1-carboxylic acid
CID 107817708

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopentyloxypropylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(3-cyclopentyloxypropylcarbamoyl)cyclohexane-1-carboxylic acid (CID 120674146) is 4-(3-cyclopentyloxypropylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(3-cyclopentyloxypropylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(3-cyclopentyloxypropylcarbamoyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)NCCCOC2CCCC2)CC1.
What is the InChIKey of 4-(3-cyclopentyloxypropylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is FXWBSZAOTACPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c18-15(12-6-8-13(9-7-12)16(19)20)17-10-3-11-21-14-4-1-2-5-14/h12-14H,1-11H2,(H,17,18)(H,19,20).
What are the key properties of 4-(3-cyclopentyloxypropylcarbamoyl)cyclohexane-1-carboxylic acid?
4-(3-cyclopentyloxypropylcarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopentyloxypropylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120674146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).