benzyl N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)carbamate

C17H18N2O3 — CID 110639583

IUPACbenzyl N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)carbamate
SMILESCN1CCOc2ccc(NC(=O)OCc3ccccc3)cc21
InChIInChI=1S/C17H18N2O3/c1-19-9-10-21-16-8-7-14(11-15(16)19)18-17(20)22-12-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,18,20)
InChIKeyOVFWEAUFFMLABX-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.26
Rot. Bonds3

About benzyl N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)carbamate

benzyl N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)carbamate (PubChem CID 110639583) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is benzyl N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)carbamate
PubChem CID110639583
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Namebenzyl N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)carbamate
SMILESCN1CCOc2ccc(NC(=O)OCc3ccccc3)cc21
InChIInChI=1S/C17H18N2O3/c1-19-9-10-21-16-8-7-14(11-15(16)19)18-17(20)22-12-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,18,20)
InChIKeyOVFWEAUFFMLABX-UHFFFAOYSA-N
XLogP3.26
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-3-phenylpropanamide
CID 119889219
2-amino-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-3-phenylpropanamide;dihydrochloride
CID 119889218
3-amino-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide
CID 83626295
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)furan-2-carboxamide
CID 110639535
3-amino-2-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-3-phenylpropanamide
CID 119889229
1,1-diethyl-3-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)urea
CID 110639588
2-(2-methoxyphenyl)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)acetamide
CID 110729427
2-chloro-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
CID 110639571
2-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide
CID 110639526
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
CID 110744724
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)morpholine-4-carboxamide
CID 110639589
phenyl N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)carbamate
CID 110412901

Frequently Asked Questions

What is the IUPAC name of benzyl N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)carbamate?
The IUPAC name of benzyl N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)carbamate (CID 110639583) is benzyl N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)carbamate.
What is the SMILES notation for benzyl N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)carbamate?
The canonical SMILES for benzyl N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)carbamate is CN1CCOc2ccc(NC(=O)OCc3ccccc3)cc21.
What is the InChIKey of benzyl N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)carbamate?
The InChIKey is OVFWEAUFFMLABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-19-9-10-21-16-8-7-14(11-15(16)19)18-17(20)22-12-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,18,20).
What are the key properties of benzyl N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)carbamate?
benzyl N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)carbamate has a molecular weight of 298.34 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)carbamate is sourced from PubChem (CID 110639583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).