N-cycloheptyl-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide

C17H22N2O3 — CID 110701727

IUPACN-cycloheptyl-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
SMILESCN1C(=O)COc2c(C(=O)NC3CCCCCC3)cccc21
InChIInChI=1S/C17H22N2O3/c1-19-14-10-6-9-13(16(14)22-11-15(19)20)17(21)18-12-7-4-2-3-5-8-12/h6,9-10,12H,2-5,7-8,11H2,1H3,(H,18,21)
InChIKeyWOGRIUWXRORCQZ-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.49
Rot. Bonds2

About N-cycloheptyl-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide

N-cycloheptyl-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide (PubChem CID 110701727) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-cycloheptyl-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
PubChem CID110701727
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-cycloheptyl-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
SMILESCN1C(=O)COc2c(C(=O)NC3CCCCCC3)cccc21
InChIInChI=1S/C17H22N2O3/c1-19-14-10-6-9-13(16(14)22-11-15(19)20)17(21)18-12-7-4-2-3-5-8-12/h6,9-10,12H,2-5,7-8,11H2,1H3,(H,18,21)
InChIKeyWOGRIUWXRORCQZ-UHFFFAOYSA-N
XLogP2.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide
CID 110701671
4-methyl-3-oxo-N-propan-2-yl-1,4-benzoxazine-8-carboxamide
CID 110701662
methyl 4-methyl-3-oxo-1,4-benzoxazine-8-carboxylate
CID 59153391
4-methyl-3-oxo-N-(4-propan-2-ylphenyl)-1,4-benzoxazine-8-carboxamide
CID 110701754
1-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-3-(oxan-4-yl)urea
CID 110630403
8-(cyclopentylsulfamoylamino)-4-methyl-1,4-benzoxazin-3-one
CID 110630401
N-cycloheptyl-2-(1,3-dioxoisoindol-2-yl)benzamide
CID 168517830
N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 168514596
N-cyclohexyl-1'-methyl-2'-oxospiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-4'-carboxamide
CID 59352661
8-fluoro-4-methyl-1,4-benzoxazin-3-one
CID 66697398
N-cyclohexyl-3-oxo-4H-1,4-benzoxazine-5-carboxamide
CID 110699638
N-cycloheptyl-2-fluoro-3-methylbenzamide
CID 80719060

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide?
The IUPAC name of N-cycloheptyl-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide (CID 110701727) is N-cycloheptyl-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for N-cycloheptyl-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for N-cycloheptyl-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide is CN1C(=O)COc2c(C(=O)NC3CCCCCC3)cccc21.
What is the InChIKey of N-cycloheptyl-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide?
The InChIKey is WOGRIUWXRORCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-19-14-10-6-9-13(16(14)22-11-15(19)20)17(21)18-12-7-4-2-3-5-8-12/h6,9-10,12H,2-5,7-8,11H2,1H3,(H,18,21).
What are the key properties of N-cycloheptyl-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide?
N-cycloheptyl-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-methyl-3-oxo-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 110701727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).