7-(2-methoxyethylamino)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one

C13H18N2O3 — CID 82499150

IUPAC7-(2-methoxyethylamino)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
SMILESCOCCNc1ccc2c(c1)N(C)C(=O)CCO2
InChIInChI=1S/C13H18N2O3/c1-15-11-9-10(14-6-8-17-2)3-4-12(11)18-7-5-13(15)16/h3-4,9,14H,5-8H2,1-2H3
InChIKeyMWGPONQKWAUBBR-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.49
Rot. Bonds4

About 7-(2-methoxyethylamino)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one

7-(2-methoxyethylamino)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one (PubChem CID 82499150) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 7-(2-methoxyethylamino)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one.

Molecular Properties

Compound Name7-(2-methoxyethylamino)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
PubChem CID82499150
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name7-(2-methoxyethylamino)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
SMILESCOCCNc1ccc2c(c1)N(C)C(=O)CCO2
InChIInChI=1S/C13H18N2O3/c1-15-11-9-10(14-6-8-17-2)3-4-12(11)18-7-5-13(15)16/h3-4,9,14H,5-8H2,1-2H3
InChIKeyMWGPONQKWAUBBR-UHFFFAOYSA-N
XLogP1.49
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-(2-methoxyethylamino)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one 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

6-(2-methoxyethylamino)-4-methyl-1,4-benzoxazin-3-one
CID 82496765
methyl 3-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)amino]propanoate
CID 82316757
1-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-3-phenylurea
CID 110774643
2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-N-pentylacetamide
CID 110770862
5-methyl-7-[1-(methylamino)propan-2-yl]-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82498737
5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-carbaldehyde
CID 82230292
4-methyl-N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)benzenesulfonamide
CID 110778415
N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)cyclopentanecarboxamide
CID 110778347
N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)thiophene-2-sulfonamide
CID 110778416
N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-5-oxopyrrolidine-2-carboxamide
CID 110793064
5-methyl-7-[methyl-[2-(methylamino)ethyl]amino]-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82501361
N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-3-phenylpropanamide
CID 110778369

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethylamino)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one?
The IUPAC name of 7-(2-methoxyethylamino)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one (CID 82499150) is 7-(2-methoxyethylamino)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one.
What is the SMILES notation for 7-(2-methoxyethylamino)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one?
The canonical SMILES for 7-(2-methoxyethylamino)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one is COCCNc1ccc2c(c1)N(C)C(=O)CCO2.
What is the InChIKey of 7-(2-methoxyethylamino)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one?
The InChIKey is MWGPONQKWAUBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-15-11-9-10(14-6-8-17-2)3-4-12(11)18-7-5-13(15)16/h3-4,9,14H,5-8H2,1-2H3.
What are the key properties of 7-(2-methoxyethylamino)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one?
7-(2-methoxyethylamino)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one has a molecular weight of 250.30 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethylamino)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one is sourced from PubChem (CID 82499150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).