2-methyl-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)benzamide

C18H18N2O3 — CID 40957925

IUPAC2-methyl-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)benzamide
SMILESCc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)N(C)CCO2
InChIInChI=1S/C18H18N2O3/c1-12-5-3-4-6-14(12)17(21)19-13-7-8-16-15(11-13)18(22)20(2)9-10-23-16/h3-8,11H,9-10H2,1-2H3,(H,19,21)
InChIKeyPBXHYPIQIQTNCQ-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.71
Rot. Bonds2

About 2-methyl-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)benzamide

2-methyl-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)benzamide (PubChem CID 40957925) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-methyl-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)benzamide
PubChem CID40957925
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-methyl-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)benzamide
SMILESCc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)N(C)CCO2
InChIInChI=1S/C18H18N2O3/c1-12-5-3-4-6-14(12)17(21)19-13-7-8-16-15(11-13)18(22)20(2)9-10-23-16/h3-8,11H,9-10H2,1-2H3,(H,19,21)
InChIKeyPBXHYPIQIQTNCQ-UHFFFAOYSA-N
XLogP2.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethylsulfonyl)-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)benzamide
CID 71806552
5-bromo-2-chloro-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)benzamide
CID 44963927
3-methyl-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-1-benzofuran-2-carboxamide
CID 171138531
N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)propanamide
CID 18571551
N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-phenoxyacetamide
CID 16826896
2-chloro-6-fluoro-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)benzamide
CID 18571527
N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-(3-methylphenyl)acetamide
CID 40957969
N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-3-nitrobenzamide
CID 44963923
N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)cyclopentanecarboxamide
CID 16812651
1-cyclopropyl-3-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)urea
CID 45497278
2-chloro-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
CID 110639571
(2S)-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)oxolane-2-carboxamide
CID 40957932

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)benzamide?
The IUPAC name of 2-methyl-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)benzamide (CID 40957925) is 2-methyl-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)benzamide.
What is the SMILES notation for 2-methyl-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)benzamide?
The canonical SMILES for 2-methyl-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)benzamide is Cc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)N(C)CCO2.
What is the InChIKey of 2-methyl-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)benzamide?
The InChIKey is PBXHYPIQIQTNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-5-3-4-6-14(12)17(21)19-13-7-8-16-15(11-13)18(22)20(2)9-10-23-16/h3-8,11H,9-10H2,1-2H3,(H,19,21).
What are the key properties of 2-methyl-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)benzamide?
2-methyl-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)benzamide has a molecular weight of 310.35 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)benzamide is sourced from PubChem (CID 40957925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).