4-[3-(oxolan-3-yloxy)propylcarbamoyl]cyclohexane-1-carboxylic acid

C15H25NO5 — CID 120674287

IUPAC4-[3-(oxolan-3-yloxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCCCOC2CCOC2)CC1
InChIInChI=1S/C15H25NO5/c17-14(11-2-4-12(5-3-11)15(18)19)16-7-1-8-21-13-6-9-20-10-13/h11-13H,1-10H2,(H,16,17)(H,18,19)
InChIKeyVUQRQBIMTXDWKP-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.19
Rot. Bonds7

About 4-[3-(oxolan-3-yloxy)propylcarbamoyl]cyclohexane-1-carboxylic acid

4-[3-(oxolan-3-yloxy)propylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120674287) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-[3-(oxolan-3-yloxy)propylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-(oxolan-3-yloxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120674287
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Name4-[3-(oxolan-3-yloxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)NCCCOC2CCOC2)CC1
InChIInChI=1S/C15H25NO5/c17-14(11-2-4-12(5-3-11)15(18)19)16-7-1-8-21-13-6-9-20-10-13/h11-13H,1-10H2,(H,16,17)(H,18,19)
InChIKeyVUQRQBIMTXDWKP-UHFFFAOYSA-N
XLogP1.19
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-cyclopentyloxypropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120674146
N-[3-(oxolan-3-yloxy)propyl]piperidine-3-carboxamide
CID 119340232
N-(3-cyclohexyloxypropyl)oxolane-3-carboxamide
CID 86850695
4-[3-(oxan-4-ylmethoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673829
N-(3-piperidin-4-yloxypropyl)oxane-4-carboxamide
CID 63871444
2-amino-2-methyl-N-[3-(oxolan-3-yloxy)propyl]propanamide;hydrochloride
CID 119340219
2-amino-3-methyl-N-[3-(oxolan-3-yloxy)propyl]pentanamide
CID 119812727
5-[3-(oxolan-3-yloxy)propylcarbamoyl]pyrazine-2-carboxylic acid
CID 120689125
2-amino-N-[3-(oxolan-3-yloxy)propyl]pentanamide;hydrochloride
CID 119340229
4-(7-methyloctylcarbamoyl)cyclohexane-1-carboxylic acid
CID 107817708
(3R)-3-(3-bromopropoxy)oxolane
CID 95240996
(2S)-2-amino-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119340221

Frequently Asked Questions

What is the IUPAC name of 4-[3-(oxolan-3-yloxy)propylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[3-(oxolan-3-yloxy)propylcarbamoyl]cyclohexane-1-carboxylic acid (CID 120674287) is 4-[3-(oxolan-3-yloxy)propylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[3-(oxolan-3-yloxy)propylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[3-(oxolan-3-yloxy)propylcarbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)NCCCOC2CCOC2)CC1.
What is the InChIKey of 4-[3-(oxolan-3-yloxy)propylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is VUQRQBIMTXDWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO5/c17-14(11-2-4-12(5-3-11)15(18)19)16-7-1-8-21-13-6-9-20-10-13/h11-13H,1-10H2,(H,16,17)(H,18,19).
What are the key properties of 4-[3-(oxolan-3-yloxy)propylcarbamoyl]cyclohexane-1-carboxylic acid?
4-[3-(oxolan-3-yloxy)propylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(oxolan-3-yloxy)propylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120674287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).