N-(3-cyclohexyloxypropyl)oxolane-3-carboxamide

C14H25NO3 — CID 86850695

IUPACN-(3-cyclohexyloxypropyl)oxolane-3-carboxamide
SMILESO=C(NCCCOC1CCCCC1)C1CCOC1
InChIInChI=1S/C14H25NO3/c16-14(12-7-10-17-11-12)15-8-4-9-18-13-5-2-1-3-6-13/h12-13H,1-11H2,(H,15,16)
InChIKeyBYUZWENYQQSUMJ-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.88
Rot. Bonds6

About N-(3-cyclohexyloxypropyl)oxolane-3-carboxamide

N-(3-cyclohexyloxypropyl)oxolane-3-carboxamide (PubChem CID 86850695) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)oxolane-3-carboxamide
PubChem CID86850695
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC NameN-(3-cyclohexyloxypropyl)oxolane-3-carboxamide
SMILESO=C(NCCCOC1CCCCC1)C1CCOC1
InChIInChI=1S/C14H25NO3/c16-14(12-7-10-17-11-12)15-8-4-9-18-13-5-2-1-3-6-13/h12-13H,1-11H2,(H,15,16)
InChIKeyBYUZWENYQQSUMJ-UHFFFAOYSA-N
XLogP1.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.88
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

N-(3-piperidin-4-yloxypropyl)oxane-4-carboxamide
CID 63871444
4-[3-(oxolan-3-yloxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674287
4-(3-cyclopentyloxypropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120674146
N-[3-(oxolan-3-yloxy)propyl]piperidine-3-carboxamide
CID 119340232
N-(3-piperidin-4-yloxypropyl)cycloheptanecarboxamide
CID 63869278
N-(3-cyclopentyloxypropyl)piperidine-4-carboxamide;hydrochloride
CID 119309020
N-(2-cyclohexyloxyethyl)cyclohexanecarboxamide
CID 140689700
N-(4-bromobutyl)oxolane-3-carboxamide
CID 106845774
N-(2-piperidin-4-yloxyethyl)oxane-3-carboxamide
CID 55251624
N-[2-(4-aminocyclohexyl)oxyethyl]oxane-3-carboxamide
CID 63869806
N-[3-(oxan-4-yloxy)propyl]piperidine-2-carboxamide
CID 119334628
trans-(1S,2S)-2-(3-cyclohexyloxypropylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93365859

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)oxolane-3-carboxamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)oxolane-3-carboxamide (CID 86850695) is N-(3-cyclohexyloxypropyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)oxolane-3-carboxamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)oxolane-3-carboxamide is O=C(NCCCOC1CCCCC1)C1CCOC1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)oxolane-3-carboxamide?
The InChIKey is BYUZWENYQQSUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c16-14(12-7-10-17-11-12)15-8-4-9-18-13-5-2-1-3-6-13/h12-13H,1-11H2,(H,15,16).
What are the key properties of N-(3-cyclohexyloxypropyl)oxolane-3-carboxamide?
N-(3-cyclohexyloxypropyl)oxolane-3-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)oxolane-3-carboxamide is sourced from PubChem (CID 86850695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).