N-(3-phenylbutyl)oxolane-2-carboxamide

C15H21NO2 — CID 110357557

IUPACN-(3-phenylbutyl)oxolane-2-carboxamide
SMILESCC(CCNC(=O)C1CCCO1)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-12(13-6-3-2-4-7-13)9-10-16-15(17)14-8-5-11-18-14/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,16,17)
InChIKeySTQJDFAWFXMXBI-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.48
Rot. Bonds5

About N-(3-phenylbutyl)oxolane-2-carboxamide

N-(3-phenylbutyl)oxolane-2-carboxamide (PubChem CID 110357557) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(3-phenylbutyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(3-phenylbutyl)oxolane-2-carboxamide
PubChem CID110357557
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(3-phenylbutyl)oxolane-2-carboxamide
SMILESCC(CCNC(=O)C1CCCO1)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-12(13-6-3-2-4-7-13)9-10-16-15(17)14-8-5-11-18-14/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,16,17)
InChIKeySTQJDFAWFXMXBI-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-3-phenylpropyl)oxane-2-carboxamide
CID 80506763
N'-methyl-4-(oxolane-2-carbonyl)-N-(3-phenylbutyl)piperazine-1-carboximidamide;hydroiodide
CID 111302152
3-[(2S)-oxolan-2-yl]-N-[(3R)-3-phenylbutyl]propanamide
CID 94821729
(2S)-N-[(1S)-1-phenylethyl]oxolane-2-carboxamide
CID 896917
N-(2-phenylbutyl)oxolane-2-carboxamide
CID 78800794
5-oxo-N-[2-(oxolane-2-carbonylamino)ethyl]-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108540911
N-[(4-butan-2-ylphenyl)methyl]oxolane-2-carboxamide
CID 110780449
N-(3-phenoxypropyl)oxolane-2-carboxamide
CID 74588309
N-[2-(N-acetylanilino)ethyl]oxolane-2-carboxamide
CID 113057159
N-(5-bromo-4-methylpentyl)oxolane-2-carboxamide
CID 106158020
4-(aminomethyl)-N-(3-phenylbutyl)cyclohexane-1-carboxamide
CID 79519273
N-[2-[(2-sulfanylbenzoyl)amino]ethyl]oxolane-2-carboxamide
CID 108542235

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylbutyl)oxolane-2-carboxamide?
The IUPAC name of N-(3-phenylbutyl)oxolane-2-carboxamide (CID 110357557) is N-(3-phenylbutyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(3-phenylbutyl)oxolane-2-carboxamide?
The canonical SMILES for N-(3-phenylbutyl)oxolane-2-carboxamide is CC(CCNC(=O)C1CCCO1)c1ccccc1.
What is the InChIKey of N-(3-phenylbutyl)oxolane-2-carboxamide?
The InChIKey is STQJDFAWFXMXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12(13-6-3-2-4-7-13)9-10-16-15(17)14-8-5-11-18-14/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,16,17).
What are the key properties of N-(3-phenylbutyl)oxolane-2-carboxamide?
N-(3-phenylbutyl)oxolane-2-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylbutyl)oxolane-2-carboxamide is sourced from PubChem (CID 110357557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).