phenyl N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]carbamate

C17H16N2O4 — CID 110783576

IUPACphenyl N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]carbamate
SMILESCN1C(=O)COc2ccc(CNC(=O)Oc3ccccc3)cc21
InChIInChI=1S/C17H16N2O4/c1-19-14-9-12(7-8-15(14)22-11-16(19)20)10-18-17(21)23-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,18,21)
InChIKeyWOXZXWVYAFRKEJ-UHFFFAOYSA-N
MW312.32 g/mol
LogP2.33
Rot. Bonds3

About phenyl N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]carbamate

phenyl N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]carbamate (PubChem CID 110783576) has the molecular formula C17H16N2O4 and a molecular weight of 312.32 g/mol. Its IUPAC name is phenyl N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]carbamate.

Molecular Properties

Compound Namephenyl N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]carbamate
PubChem CID110783576
Molecular FormulaC17H16N2O4
Molecular Weight312.32 g/mol
Exact Mass312.11
IUPAC Namephenyl N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]carbamate
SMILESCN1C(=O)COc2ccc(CNC(=O)Oc3ccccc3)cc21
InChIInChI=1S/C17H16N2O4/c1-19-14-9-12(7-8-15(14)22-11-16(19)20)10-18-17(21)23-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,18,21)
InChIKeyWOXZXWVYAFRKEJ-UHFFFAOYSA-N
XLogP2.33
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-2-oxopropanamide
CID 115175658
2-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]benzamide
CID 110783546
2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 110770402
4-methyl-6-[(2-oxopropylamino)methyl]-1,4-benzoxazin-3-one
CID 115234746
2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 110770413
N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]benzenesulfonamide
CID 110783605
phenyl N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]carbamate
CID 110738535
phenyl N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)carbamate
CID 110780538
N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110783577
4-methyl-6-[(3-oxobutylamino)methyl]-1,4-benzoxazin-3-one
CID 115235687
N-methyl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770440
phenyl N-(2,3-dihydro-1-benzofuran-5-ylmethyl)carbamate
CID 110787080

Frequently Asked Questions

What is the IUPAC name of phenyl N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]carbamate?
The IUPAC name of phenyl N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]carbamate (CID 110783576) is phenyl N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]carbamate.
What is the SMILES notation for phenyl N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]carbamate?
The canonical SMILES for phenyl N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]carbamate is CN1C(=O)COc2ccc(CNC(=O)Oc3ccccc3)cc21.
What is the InChIKey of phenyl N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]carbamate?
The InChIKey is WOXZXWVYAFRKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-19-14-9-12(7-8-15(14)22-11-16(19)20)10-18-17(21)23-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,18,21).
What are the key properties of phenyl N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]carbamate?
phenyl N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]carbamate has a molecular weight of 312.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]carbamate is sourced from PubChem (CID 110783576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).