1-benzyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide

C18H23NO2 — CID 71919724

IUPAC1-benzyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide
SMILESO=C(NC1CC2CCC1O2)C1(Cc2ccccc2)CCC1
InChIInChI=1S/C18H23NO2/c20-17(19-15-11-14-7-8-16(15)21-14)18(9-4-10-18)12-13-5-2-1-3-6-13/h1-3,5-6,14-16H,4,7-12H2,(H,19,20)
InChIKeyJBFCMAXLJMEOKR-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.84
Rot. Bonds4

About 1-benzyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide

1-benzyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide (PubChem CID 71919724) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-benzyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide
PubChem CID71919724
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-benzyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide
SMILESO=C(NC1CC2CCC1O2)C1(Cc2ccccc2)CCC1
InChIInChI=1S/C18H23NO2/c20-17(19-15-11-14-7-8-16(15)21-14)18(9-4-10-18)12-13-5-2-1-3-6-13/h1-3,5-6,14-16H,4,7-12H2,(H,19,20)
InChIKeyJBFCMAXLJMEOKR-UHFFFAOYSA-N
XLogP2.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 103760232
1-benzyl-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide
CID 120557779
1-[(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 113311471
N-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-thiophen-2-ylcyclohexane-1-carboxamide
CID 129378562
1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea
CID 129378614
5-[(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)methyl]furan-2-carboxylic acid
CID 80720484
N-(4-aminocyclohexyl)-1-benzylcyclopropane-1-carboxamide
CID 119477938
1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[1-(2-phenylethyl)imidazol-2-yl]methyl]urea
CID 98849989
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 98227718
1-[(R)-cyclobutyl(phenyl)methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 98849832
2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)benzoic acid
CID 80719402
1-[[3-(cyclopentyloxymethyl)phenyl]methyl]-3-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 98849858

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-benzyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide (CID 71919724) is 1-benzyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-benzyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-benzyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide is O=C(NC1CC2CCC1O2)C1(Cc2ccccc2)CCC1.
What is the InChIKey of 1-benzyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide?
The InChIKey is JBFCMAXLJMEOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c20-17(19-15-11-14-7-8-16(15)21-14)18(9-4-10-18)12-13-5-2-1-3-6-13/h1-3,5-6,14-16H,4,7-12H2,(H,19,20).
What are the key properties of 1-benzyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide?
1-benzyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 71919724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).