N-benzyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide

C17H18N2O2 — CID 110748689

IUPACN-benzyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCC1CN(C(=O)NCc2ccccc2)c2ccccc2O1
InChIInChI=1S/C17H18N2O2/c1-13-12-19(15-9-5-6-10-16(15)21-13)17(20)18-11-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,18,20)
InChIKeyLFGLHLKPVSWWQL-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.18
Rot. Bonds2

About N-benzyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide

N-benzyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide (PubChem CID 110748689) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-benzyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
PubChem CID110748689
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-benzyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCC1CN(C(=O)NCc2ccccc2)c2ccccc2O1
InChIInChI=1S/C17H18N2O2/c1-13-12-19(15-9-5-6-10-16(15)21-13)17(20)18-11-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,18,20)
InChIKeyLFGLHLKPVSWWQL-UHFFFAOYSA-N
XLogP3.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-3-oxopropyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 75424854
N-benzyl-7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 58064691
2-chloro-1-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 14880552
N-benzyl-2-ethyl-2,3-dihydro-1,4-benzothiazine-4-carboxamide
CID 20907252
(2R)-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 98869702
3,3,3-trifluoro-1-(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one
CID 166201745
N-(5-chloro-2-methylphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521403
N-benzyl-4-(4-fluorobenzoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 133239456
1-[7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-phenylethanone
CID 82339338
N-benzyl-4-[2-(3,4-dimethoxyphenyl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 133239444
(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-piperidin-4-ylmethanone
CID 82274959
(2R)-N-benzyl-4-[2-[ethylsulfonyl(methyl)amino]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 125061914

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The IUPAC name of N-benzyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide (CID 110748689) is N-benzyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The canonical SMILES for N-benzyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide is CC1CN(C(=O)NCc2ccccc2)c2ccccc2O1.
What is the InChIKey of N-benzyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The InChIKey is LFGLHLKPVSWWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-13-12-19(15-9-5-6-10-16(15)21-13)17(20)18-11-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,18,20).
What are the key properties of N-benzyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
N-benzyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 110748689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).