N-(4-butylphenyl)oxolane-2-carboxamide

C15H21NO2 — CID 3642785

IUPACN-(4-butylphenyl)oxolane-2-carboxamide
SMILESCCCCc1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C15H21NO2/c1-2-3-5-12-7-9-13(10-8-12)16-15(17)14-6-4-11-18-14/h7-10,14H,2-6,11H2,1H3,(H,16,17)
InChIKeyHKKFJNCYNZHEHZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.15
Rot. Bonds5

About N-(4-butylphenyl)oxolane-2-carboxamide

N-(4-butylphenyl)oxolane-2-carboxamide (PubChem CID 3642785) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(4-butylphenyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)oxolane-2-carboxamide
PubChem CID3642785
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(4-butylphenyl)oxolane-2-carboxamide
SMILESCCCCc1ccc(NC(=O)C2CCCO2)cc1
InChIInChI=1S/C15H21NO2/c1-2-3-5-12-7-9-13(10-8-12)16-15(17)14-6-4-11-18-14/h7-10,14H,2-6,11H2,1H3,(H,16,17)
InChIKeyHKKFJNCYNZHEHZ-UHFFFAOYSA-N
XLogP3.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-Oxo-2-(4-propan-2-ylanilino)ethyl] 2-cyclopentylacetate
CID 2343268
N'-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)oxamide
CID 2883455
N-(4-acetylphenyl)oxolane-2-carboxamide
CID 3155118
2,2'-oxybis[N-(4-methylphenyl)acetamide]
CID 3391212
N-(2-bromo-4-methylphenyl)tetrahydrofuran-2-carboxamide
CID 4322354
N-(4-{[(3-isopropoxypropyl)amino]carbonyl}phenyl)tetrahydrofuran-2-carboxamide
CID 3244061
N-[4-(butylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 3244920
N-mesityltetrahydro-2-furancarboxamide
CID 5058797
N-{4-[(3-Ethoxypropyl)carbamoyl]phenyl}oxolane-2-carboxamide
CID 22422955
N-(4-butylphenyl)-2-ethoxyacetamide
CID 2162873
[2-(3-Fluoro-4-methylanilino)-2-oxoethyl] pentanoate
CID 2458262
N'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)oxamide
CID 2883500

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)oxolane-2-carboxamide?
The IUPAC name of N-(4-butylphenyl)oxolane-2-carboxamide (CID 3642785) is N-(4-butylphenyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)oxolane-2-carboxamide?
The canonical SMILES for N-(4-butylphenyl)oxolane-2-carboxamide is CCCCc1ccc(NC(=O)C2CCCO2)cc1.
What is the InChIKey of N-(4-butylphenyl)oxolane-2-carboxamide?
The InChIKey is HKKFJNCYNZHEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-3-5-12-7-9-13(10-8-12)16-15(17)14-6-4-11-18-14/h7-10,14H,2-6,11H2,1H3,(H,16,17).
What are the key properties of N-(4-butylphenyl)oxolane-2-carboxamide?
N-(4-butylphenyl)oxolane-2-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)oxolane-2-carboxamide is sourced from PubChem (CID 3642785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).