[3-(cyclopropylmethyl)cyclobutyl]-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methanone

C19H25NO2 — CID 166350559

IUPAC[3-(cyclopropylmethyl)cyclobutyl]-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methanone
SMILESCC1(C)CN(C(=O)C2CC(CC3CC3)C2)c2ccccc2O1
InChIInChI=1S/C19H25NO2/c1-19(2)12-20(16-5-3-4-6-17(16)22-19)18(21)15-10-14(11-15)9-13-7-8-13/h3-6,13-15H,7-12H2,1-2H3
InChIKeyXAWQBWWIBXJECJ-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.02
Rot. Bonds3

About [3-(cyclopropylmethyl)cyclobutyl]-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methanone

[3-(cyclopropylmethyl)cyclobutyl]-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methanone (PubChem CID 166350559) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is [3-(cyclopropylmethyl)cyclobutyl]-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methanone.

Molecular Properties

Compound Name[3-(cyclopropylmethyl)cyclobutyl]-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methanone
PubChem CID166350559
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name[3-(cyclopropylmethyl)cyclobutyl]-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methanone
SMILESCC1(C)CN(C(=O)C2CC(CC3CC3)C2)c2ccccc2O1
InChIInChI=1S/C19H25NO2/c1-19(2)12-20(16-5-3-4-6-17(16)22-19)18(21)15-10-14(11-15)9-13-7-8-13/h3-6,13-15H,7-12H2,1-2H3
InChIKeyXAWQBWWIBXJECJ-UHFFFAOYSA-N
XLogP4.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methanone
CID 167969671
(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-spiro[2.5]octan-6-ylmethanone
CID 166350560
3-cyclopropyl-1-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)propan-1-one
CID 166227152
(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-(2-fluorocyclopropyl)methanone
CID 167790059
(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-spiro[2.2]pentan-2-ylmethanone
CID 128861364
4-chloro-1-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)pent-4-en-1-one
CID 166389612
2-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-N,N-dimethylacetamide
CID 167943287
3,4-dihydro-2H-chromen-3-yl-[2,2-dimethyl-6-(trifluoromethyl)-3H-1,4-benzoxazin-4-yl]methanone
CID 166272779
(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-[2-(oxan-4-yl)-1,3-oxazol-4-yl]methanone
CID 127907878
(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 126780431
4-(1-methylpyrrolidine-3-carbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 60921208
benzyl 2-hydroxy-2-methyl-3H-1,4-benzoxazine-4-carboxylate
CID 139694344

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethyl)cyclobutyl]-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methanone?
The IUPAC name of [3-(cyclopropylmethyl)cyclobutyl]-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methanone (CID 166350559) is [3-(cyclopropylmethyl)cyclobutyl]-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methanone.
What is the SMILES notation for [3-(cyclopropylmethyl)cyclobutyl]-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methanone?
The canonical SMILES for [3-(cyclopropylmethyl)cyclobutyl]-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methanone is CC1(C)CN(C(=O)C2CC(CC3CC3)C2)c2ccccc2O1.
What is the InChIKey of [3-(cyclopropylmethyl)cyclobutyl]-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methanone?
The InChIKey is XAWQBWWIBXJECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-19(2)12-20(16-5-3-4-6-17(16)22-19)18(21)15-10-14(11-15)9-13-7-8-13/h3-6,13-15H,7-12H2,1-2H3.
What are the key properties of [3-(cyclopropylmethyl)cyclobutyl]-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methanone?
[3-(cyclopropylmethyl)cyclobutyl]-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methanone has a molecular weight of 299.41 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethyl)cyclobutyl]-(2,2-dimethyl-3H-1,4-benzoxazin-4-yl)methanone is sourced from PubChem (CID 166350559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).