4-(2-methoxyethyl)-3-oxo-N-phenyl-5H-1,4-benzoxazepine-7-carboxamide

C19H20N2O4 — CID 91894681

IUPAC4-(2-methoxyethyl)-3-oxo-N-phenyl-5H-1,4-benzoxazepine-7-carboxamide
SMILESCOCCN1Cc2cc(C(=O)Nc3ccccc3)ccc2OCC1=O
InChIInChI=1S/C19H20N2O4/c1-24-10-9-21-12-15-11-14(7-8-17(15)25-13-18(21)22)19(23)20-16-5-3-2-4-6-16/h2-8,11H,9-10,12-13H2,1H3,(H,20,23)
InChIKeyHBLXQFBIIPDJBT-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.31
Rot. Bonds5

About 4-(2-methoxyethyl)-3-oxo-N-phenyl-5H-1,4-benzoxazepine-7-carboxamide

4-(2-methoxyethyl)-3-oxo-N-phenyl-5H-1,4-benzoxazepine-7-carboxamide (PubChem CID 91894681) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-3-oxo-N-phenyl-5H-1,4-benzoxazepine-7-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyethyl)-3-oxo-N-phenyl-5H-1,4-benzoxazepine-7-carboxamide
PubChem CID91894681
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name4-(2-methoxyethyl)-3-oxo-N-phenyl-5H-1,4-benzoxazepine-7-carboxamide
SMILESCOCCN1Cc2cc(C(=O)Nc3ccccc3)ccc2OCC1=O
InChIInChI=1S/C19H20N2O4/c1-24-10-9-21-12-15-11-14(7-8-17(15)25-13-18(21)22)19(23)20-16-5-3-2-4-6-16/h2-8,11H,9-10,12-13H2,1H3,(H,20,23)
InChIKeyHBLXQFBIIPDJBT-UHFFFAOYSA-N
XLogP2.31
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-4-(2-methoxyethyl)-3-oxo-5H-1,4-benzoxazepine-7-carboxamide
CID 91894673
4-benzyl-N-(4-ethylphenyl)-3-oxo-5H-1,4-benzoxazepine-7-carboxamide
CID 91894734
4-(2-methoxyethyl)-3-oxo-N-(2-pyridin-4-ylethyl)-5H-1,4-benzoxazepine-7-carboxamide
CID 91894697
3,5-dimethoxy-N-[3-oxo-4-(2-phenylethyl)-5H-1,4-benzoxazepin-7-yl]benzamide
CID 42801703
N-(4-benzyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-4-chlorobenzamide
CID 42801687
3,4-dimethoxy-N-[3-oxo-4-(1-phenylpropyl)-5H-1,4-benzoxazepin-7-yl]benzamide
CID 42804221
methyl 3-[(4-methyl-3-oxo-1,4-benzoxazine-6-carbonyl)amino]benzoate
CID 110763913
4-benzyl-N-(furan-2-ylmethyl)-3-oxo-5H-1,4-benzoxazepine-7-carboxamide
CID 91894716
N-[3-oxo-4-(2-phenylethyl)-5H-1,4-benzoxazepin-7-yl]cyclopropanecarboxamide
CID 42801701
N-[4-[(3-methoxyphenyl)methyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]-4-nitrobenzamide
CID 42804167
3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide
CID 17429970
7-amino-4-(2-phenylethyl)-5H-1,4-benzoxazepin-3-one
CID 42801458

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-3-oxo-N-phenyl-5H-1,4-benzoxazepine-7-carboxamide?
The IUPAC name of 4-(2-methoxyethyl)-3-oxo-N-phenyl-5H-1,4-benzoxazepine-7-carboxamide (CID 91894681) is 4-(2-methoxyethyl)-3-oxo-N-phenyl-5H-1,4-benzoxazepine-7-carboxamide.
What is the SMILES notation for 4-(2-methoxyethyl)-3-oxo-N-phenyl-5H-1,4-benzoxazepine-7-carboxamide?
The canonical SMILES for 4-(2-methoxyethyl)-3-oxo-N-phenyl-5H-1,4-benzoxazepine-7-carboxamide is COCCN1Cc2cc(C(=O)Nc3ccccc3)ccc2OCC1=O.
What is the InChIKey of 4-(2-methoxyethyl)-3-oxo-N-phenyl-5H-1,4-benzoxazepine-7-carboxamide?
The InChIKey is HBLXQFBIIPDJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-24-10-9-21-12-15-11-14(7-8-17(15)25-13-18(21)22)19(23)20-16-5-3-2-4-6-16/h2-8,11H,9-10,12-13H2,1H3,(H,20,23).
What are the key properties of 4-(2-methoxyethyl)-3-oxo-N-phenyl-5H-1,4-benzoxazepine-7-carboxamide?
4-(2-methoxyethyl)-3-oxo-N-phenyl-5H-1,4-benzoxazepine-7-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-3-oxo-N-phenyl-5H-1,4-benzoxazepine-7-carboxamide is sourced from PubChem (CID 91894681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).