N-(3,3-dimethylcyclopentyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide

C16H20N2O3 — CID 115881758

IUPACN-(3,3-dimethylcyclopentyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESCC1(C)CCC(NC(=O)c2ccc3c(c2)NC(=O)CO3)C1
InChIInChI=1S/C16H20N2O3/c1-16(2)6-5-11(8-16)17-15(20)10-3-4-13-12(7-10)18-14(19)9-21-13/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyGLGCXOZBURETNW-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.33
Rot. Bonds2

About N-(3,3-dimethylcyclopentyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide

N-(3,3-dimethylcyclopentyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide (PubChem CID 115881758) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
PubChem CID115881758
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-(3,3-dimethylcyclopentyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESCC1(C)CCC(NC(=O)c2ccc3c(c2)NC(=O)CO3)C1
InChIInChI=1S/C16H20N2O3/c1-16(2)6-5-11(8-16)17-15(20)10-3-4-13-12(7-10)18-14(19)9-21-13/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyGLGCXOZBURETNW-UHFFFAOYSA-N
XLogP2.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 60655442
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 114631273
6-[1-[(3,3-dimethylcyclopentyl)amino]ethyl]-4H-1,4-benzoxazin-3-one
CID 104530994
N-(4,4-dimethylcyclohexyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712432
N-(2-methylpiperidin-3-yl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 120574862
N-(2-methylpiperidin-3-yl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride
CID 120574861
N-(2-methoxyethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 83274535
N-(4-acetamidophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53023831
6-(2,2-dimethylcyclopentanecarbonyl)-4H-1,4-benzoxazin-3-one
CID 107176343
3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide
CID 17429970
3-amino-N-(3,3-dimethylcyclopentyl)-4-methylbenzamide
CID 114542653
N-cyclopentyl-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 110344917

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide (CID 115881758) is N-(3,3-dimethylcyclopentyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide is CC1(C)CCC(NC(=O)c2ccc3c(c2)NC(=O)CO3)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The InChIKey is GLGCXOZBURETNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-16(2)6-5-11(8-16)17-15(20)10-3-4-13-12(7-10)18-14(19)9-21-13/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-(3,3-dimethylcyclopentyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
N-(3,3-dimethylcyclopentyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 115881758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).