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

C15H21NO2 — CID 78800794

IUPACN-(2-phenylbutyl)oxolane-2-carboxamide
SMILESCCC(CNC(=O)C1CCCO1)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-2-12(13-7-4-3-5-8-13)11-16-15(17)14-9-6-10-18-14/h3-5,7-8,12,14H,2,6,9-11H2,1H3,(H,16,17)
InChIKeyFSFLTXYCJUZFBL-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.48
Rot. Bonds5

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

N-(2-phenylbutyl)oxolane-2-carboxamide (PubChem CID 78800794) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(2-phenylbutyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenylbutyl)oxolane-2-carboxamide
PubChem CID78800794
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(2-phenylbutyl)oxolane-2-carboxamide
SMILESCCC(CNC(=O)C1CCCO1)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-2-12(13-7-4-3-5-8-13)11-16-15(17)14-9-6-10-18-14/h3-5,7-8,12,14H,2,6,9-11H2,1H3,(H,16,17)
InChIKeyFSFLTXYCJUZFBL-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

4-(oxolane-2-carbonyl)-N-(2-phenylbutyl)piperazine-1-carboxamide
CID 86914075
N-[(2S)-2-phenylbutyl]cyclobutanecarboxamide
CID 39952483
(2S)-N-[(1S)-1-phenylethyl]oxolane-2-carboxamide
CID 896917
N-(3-phenylbutyl)oxolane-2-carboxamide
CID 110357557
cis-(1S,2R)-2-[[(2S)-2-phenylbutyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 96564436
2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid
CID 104855763
N-[2-(2-fluorophenoxy)butyl]oxolane-2-carboxamide
CID 71863283
2-(oxolan-2-ylmethylsulfanyl)-N-(2-phenylbutyl)benzamide
CID 43016040
(2S)-N-[(2S)-2-[[(2R)-oxolane-2-carbonyl]amino]-3-phenylpropyl]oxolane-2-carboxamide
CID 100849813
N-(2-phenylbutyl)piperidine-4-carboxamide;hydrochloride
CID 119271710
N-[2-(4-methoxyphenyl)sulfonyl-2-phenylethyl]oxolane-2-carboxamide
CID 110315083
2-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]propanoic acid
CID 104855649

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylbutyl)oxolane-2-carboxamide?
The IUPAC name of N-(2-phenylbutyl)oxolane-2-carboxamide (CID 78800794) is N-(2-phenylbutyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(2-phenylbutyl)oxolane-2-carboxamide?
The canonical SMILES for N-(2-phenylbutyl)oxolane-2-carboxamide is CCC(CNC(=O)C1CCCO1)c1ccccc1.
What is the InChIKey of N-(2-phenylbutyl)oxolane-2-carboxamide?
The InChIKey is FSFLTXYCJUZFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-12(13-7-4-3-5-8-13)11-16-15(17)14-9-6-10-18-14/h3-5,7-8,12,14H,2,6,9-11H2,1H3,(H,16,17).
What are the key properties of N-(2-phenylbutyl)oxolane-2-carboxamide?
N-(2-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-(2-phenylbutyl)oxolane-2-carboxamide is sourced from PubChem (CID 78800794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).