3-amino-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide

C12H17N3O2 — CID 83626295

IUPAC3-amino-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide
SMILESCN1CCOc2ccc(NC(=O)CCN)cc21
InChIInChI=1S/C12H17N3O2/c1-15-6-7-17-11-3-2-9(8-10(11)15)14-12(16)4-5-13/h2-3,8H,4-7,13H2,1H3,(H,14,16)
InChIKeyBTYKEUTUMVKSMN-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.80
Rot. Bonds3

About 3-amino-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide

3-amino-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide (PubChem CID 83626295) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-amino-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide.

Molecular Properties

Compound Name3-amino-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide
PubChem CID83626295
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-amino-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide
SMILESCN1CCOc2ccc(NC(=O)CCN)cc21
InChIInChI=1S/C12H17N3O2/c1-15-6-7-17-11-3-2-9(8-10(11)15)14-12(16)4-5-13/h2-3,8H,4-7,13H2,1H3,(H,14,16)
InChIKeyBTYKEUTUMVKSMN-UHFFFAOYSA-N
XLogP0.80
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide 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

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-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide
CID 110639526
benzyl N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)carbamate
CID 110639583
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)morpholine-4-carboxamide
CID 110639589
2-amino-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-3-phenylpropanamide
CID 119889219
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)furan-2-carboxamide
CID 110639535
2-chloro-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
CID 110639571
(2S)-2-amino-3,3-dimethyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)butanamide
CID 119889241
2,6-dibromo-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
CID 167856806
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)acetamide
CID 119889245
2-amino-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-3-phenylpropanamide;dihydrochloride
CID 119889218

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide?
The IUPAC name of 3-amino-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide (CID 83626295) is 3-amino-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide.
What is the SMILES notation for 3-amino-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide?
The canonical SMILES for 3-amino-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide is CN1CCOc2ccc(NC(=O)CCN)cc21.
What is the InChIKey of 3-amino-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide?
The InChIKey is BTYKEUTUMVKSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-15-6-7-17-11-3-2-9(8-10(11)15)14-12(16)4-5-13/h2-3,8H,4-7,13H2,1H3,(H,14,16).
What are the key properties of 3-amino-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide?
3-amino-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide has a molecular weight of 235.29 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide is sourced from PubChem (CID 83626295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).