N-(2-methoxyphenyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide

C17H18N2O3 — CID 22521365

IUPACN-(2-methoxyphenyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCOc2ccc(C)cc21
InChIInChI=1S/C17H18N2O3/c1-12-7-8-16-14(11-12)19(9-10-22-16)17(20)18-13-5-3-4-6-15(13)21-2/h3-8,11H,9-10H2,1-2H3,(H,18,20)
InChIKeyRBOAUAWWKGVPEH-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.43
Rot. Bonds2

About N-(2-methoxyphenyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide

N-(2-methoxyphenyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide (PubChem CID 22521365) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
PubChem CID22521365
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-(2-methoxyphenyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCOc2ccc(C)cc21
InChIInChI=1S/C17H18N2O3/c1-12-7-8-16-14(11-12)19(9-10-22-16)17(20)18-13-5-3-4-6-15(13)21-2/h3-8,11H,9-10H2,1-2H3,(H,18,20)
InChIKeyRBOAUAWWKGVPEH-UHFFFAOYSA-N
XLogP3.43
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521484
[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl] 2-(2-methoxyphenyl)acetate
CID 71820800
(4-methoxyphenyl)-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 110639161
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521341
1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 12510541
1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-methylphenoxy)ethanone
CID 110714286
6-chloro-N-(2,3-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521477
2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 110754936
N,N,6-trimethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 110639196
6-chloro-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521483
1-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 22521241
2-chloro-1-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 14880523

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide (CID 22521365) is N-(2-methoxyphenyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide is COc1ccccc1NC(=O)N1CCOc2ccc(C)cc21.
What is the InChIKey of N-(2-methoxyphenyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The InChIKey is RBOAUAWWKGVPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12-7-8-16-14(11-12)19(9-10-22-16)17(20)18-13-5-3-4-6-15(13)21-2/h3-8,11H,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-(2-methoxyphenyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
N-(2-methoxyphenyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 22521365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).