N-[(4-butan-2-ylphenyl)methyl]oxolane-2-carboxamide

C16H23NO2 — CID 110780449

IUPACN-[(4-butan-2-ylphenyl)methyl]oxolane-2-carboxamide
SMILESCCC(C)c1ccc(CNC(=O)C2CCCO2)cc1
InChIInChI=1S/C16H23NO2/c1-3-12(2)14-8-6-13(7-9-14)11-17-16(18)15-5-4-10-19-15/h6-9,12,15H,3-5,10-11H2,1-2H3,(H,17,18)
InChIKeyXRDBSTQSMSEIDV-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.00
Rot. Bonds5

About N-[(4-butan-2-ylphenyl)methyl]oxolane-2-carboxamide

N-[(4-butan-2-ylphenyl)methyl]oxolane-2-carboxamide (PubChem CID 110780449) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[(4-butan-2-ylphenyl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(4-butan-2-ylphenyl)methyl]oxolane-2-carboxamide
PubChem CID110780449
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-[(4-butan-2-ylphenyl)methyl]oxolane-2-carboxamide
SMILESCCC(C)c1ccc(CNC(=O)C2CCCO2)cc1
InChIInChI=1S/C16H23NO2/c1-3-12(2)14-8-6-13(7-9-14)11-17-16(18)15-5-4-10-19-15/h6-9,12,15H,3-5,10-11H2,1-2H3,(H,17,18)
InChIKeyXRDBSTQSMSEIDV-UHFFFAOYSA-N
XLogP3.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethylphenyl)methyl]oxolane-2-carboxamide
CID 110779522
N-[(4-ethylsulfanylphenyl)methyl]oxolane-2-carboxamide
CID 110784547
N-[[4-(methylcarbamoyl)phenyl]methyl]oxolane-2-carboxamide
CID 47160865
N-[(4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
CID 110405121
N-[1-(4-ethylphenyl)-2-methylpropyl]oxolane-2-carboxamide
CID 78810784
N-(3-phenylbutyl)oxolane-2-carboxamide
CID 110357557
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide
CID 42891527
(2R)-N-[[4-[(4-chlorophenyl)methylamino]phenyl]methyl]oxolane-2-carboxamide
CID 170159902
N-[(4-butan-2-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110793549
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide
CID 47042015
N-[[1-[4-(4-butan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974106
N-(2-phenylbutyl)oxolane-2-carboxamide
CID 78800794

Frequently Asked Questions

What is the IUPAC name of N-[(4-butan-2-ylphenyl)methyl]oxolane-2-carboxamide?
The IUPAC name of N-[(4-butan-2-ylphenyl)methyl]oxolane-2-carboxamide (CID 110780449) is N-[(4-butan-2-ylphenyl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[(4-butan-2-ylphenyl)methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[(4-butan-2-ylphenyl)methyl]oxolane-2-carboxamide is CCC(C)c1ccc(CNC(=O)C2CCCO2)cc1.
What is the InChIKey of N-[(4-butan-2-ylphenyl)methyl]oxolane-2-carboxamide?
The InChIKey is XRDBSTQSMSEIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-12(2)14-8-6-13(7-9-14)11-17-16(18)15-5-4-10-19-15/h6-9,12,15H,3-5,10-11H2,1-2H3,(H,17,18).
What are the key properties of N-[(4-butan-2-ylphenyl)methyl]oxolane-2-carboxamide?
N-[(4-butan-2-ylphenyl)methyl]oxolane-2-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butan-2-ylphenyl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 110780449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).