N-[(1-benzylcyclobutyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

C19H25NO2 — CID 75379214

IUPACN-[(1-benzylcyclobutyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCC1(Cc2ccccc2)CCC1)C1CC2CCC1O2
InChIInChI=1S/C19H25NO2/c21-18(16-11-15-7-8-17(16)22-15)20-13-19(9-4-10-19)12-14-5-2-1-3-6-14/h1-3,5-6,15-17H,4,7-13H2,(H,20,21)
InChIKeyFXRLIYRBIDVUPO-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.08
Rot. Bonds5

About N-[(1-benzylcyclobutyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

N-[(1-benzylcyclobutyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 75379214) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-[(1-benzylcyclobutyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylcyclobutyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID75379214
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC NameN-[(1-benzylcyclobutyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCC1(Cc2ccccc2)CCC1)C1CC2CCC1O2
InChIInChI=1S/C19H25NO2/c21-18(16-11-15-7-8-17(16)22-15)20-13-19(9-4-10-19)12-14-5-2-1-3-6-14/h1-3,5-6,15-17H,4,7-13H2,(H,20,21)
InChIKeyFXRLIYRBIDVUPO-UHFFFAOYSA-N
XLogP3.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-7-[3-[(3-phenylpropanoylamino)methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
CID 20212099
(1R,4S)-2-(phenethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid
CID 52944503
(1R,4S)-2-(3-phenylpropylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid
CID 52946973
2-[Oxo-(2-phenylethylamino)methyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid
CID 2887234
(1R,4S)-3-(3-phenylpropylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 44435922
(1R,4S)-3-(4-phenylbutylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 44435923
N-[(2,2-dimethyl-3-phenylcyclopropyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 71909903
N-[1-(3-fluoro-4-methylphenyl)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 132282953
N-[(3-fluorophenyl)-phenylmethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 71972263
4-(3-fluorophenyl)-N-[(2-propan-2-yloxolan-3-yl)methyl]oxane-4-carboxamide
CID 71977575
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methyloxolane-3-carboxamide
CID 75398805
N-[4-(4-fluorophenyl)-4-oxobutan-2-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 75437793

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylcyclobutyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[(1-benzylcyclobutyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide (CID 75379214) is N-[(1-benzylcyclobutyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[(1-benzylcyclobutyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[(1-benzylcyclobutyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide is O=C(NCC1(Cc2ccccc2)CCC1)C1CC2CCC1O2.
What is the InChIKey of N-[(1-benzylcyclobutyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is FXRLIYRBIDVUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c21-18(16-11-15-7-8-17(16)22-15)20-13-19(9-4-10-19)12-14-5-2-1-3-6-14/h1-3,5-6,15-17H,4,7-13H2,(H,20,21).
What are the key properties of N-[(1-benzylcyclobutyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
N-[(1-benzylcyclobutyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 299.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylcyclobutyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 75379214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).