N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide

C15H18N2O4 — CID 114631273

IUPACN-(3-hydroxy-2,2-dimethylcyclobutyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C15H18N2O4/c1-15(2)11(6-12(15)18)17-14(20)8-3-4-10-9(5-8)16-13(19)7-21-10/h3-5,11-12,18H,6-7H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyVQNNESJEXYDIHN-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.91
Rot. Bonds2

About N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide

N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide (PubChem CID 114631273) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
PubChem CID114631273
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESCC1(C)C(O)CC1NC(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C15H18N2O4/c1-15(2)11(6-12(15)18)17-14(20)8-3-4-10-9(5-8)16-13(19)7-21-10/h3-5,11-12,18H,6-7H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyVQNNESJEXYDIHN-UHFFFAOYSA-N
XLogP0.91
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide with MolForge

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Related Compounds

6-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-4H-1,4-benzoxazin-3-one
CID 112633272
N-cyclopentyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 60655442
6-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]-4H-1,4-benzoxazin-3-one
CID 103075842
N-(3,3-dimethylcyclopentyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 115881758
7-amino-6-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-4H-1,4-benzoxazin-3-one
CID 114628775
N-[3-(aminomethyl)pentan-3-yl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 119568778
N-(2-methylpiperidin-3-yl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 120574862
N-(4-acetamidophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53023831
3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide
CID 17429970
N-(2-methylpiperidin-3-yl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride
CID 120574861
N-(4-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763806
N-(2-methoxyethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 83274535

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide (CID 114631273) is N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide is CC1(C)C(O)CC1NC(=O)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The InChIKey is VQNNESJEXYDIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-15(2)11(6-12(15)18)17-14(20)8-3-4-10-9(5-8)16-13(19)7-21-10/h3-5,11-12,18H,6-7H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 0.91, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 114631273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).