(2S)-2-methyl-4-oxo-N-phenyl-3,5-dihydro-2H-1,5-benzoxazepine-9-carboxamide

C17H16N2O3 — CID 121278040

IUPAC(2S)-2-methyl-4-oxo-N-phenyl-3,5-dihydro-2H-1,5-benzoxazepine-9-carboxamide
SMILESC[C@H]1CC(=O)Nc2cccc(C(=O)Nc3ccccc3)c2O1
InChIInChI=1S/C17H16N2O3/c1-11-10-15(20)19-14-9-5-8-13(16(14)22-11)17(21)18-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,18,21)(H,19,20)/t11-/m0/s1
InChIKeyBJIRPCHZVXAWDW-NSHDSACASA-N
MW296.33 g/mol
LogP3.05
Rot. Bonds2

About (2S)-2-methyl-4-oxo-N-phenyl-3,5-dihydro-2H-1,5-benzoxazepine-9-carboxamide

(2S)-2-methyl-4-oxo-N-phenyl-3,5-dihydro-2H-1,5-benzoxazepine-9-carboxamide (PubChem CID 121278040) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is (2S)-2-methyl-4-oxo-N-phenyl-3,5-dihydro-2H-1,5-benzoxazepine-9-carboxamide.

Molecular Properties

Compound Name(2S)-2-methyl-4-oxo-N-phenyl-3,5-dihydro-2H-1,5-benzoxazepine-9-carboxamide
PubChem CID121278040
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name(2S)-2-methyl-4-oxo-N-phenyl-3,5-dihydro-2H-1,5-benzoxazepine-9-carboxamide
SMILESC[C@H]1CC(=O)Nc2cccc(C(=O)Nc3ccccc3)c2O1
InChIInChI=1S/C17H16N2O3/c1-11-10-15(20)19-14-9-5-8-13(16(14)22-11)17(21)18-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,18,21)(H,19,20)/t11-/m0/s1
InChIKeyBJIRPCHZVXAWDW-NSHDSACASA-N
XLogP3.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-methyl-4-oxo-N-phenyl-3,5-dihydro-2H-1,5-benzoxazepine-9-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-methyl-9-[1-(3-propan-2-yloxyanilino)ethenyl]-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 155073034
2-methyl-3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-8-carboxamide
CID 126805171
N-(4-chlorophenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701906
2-methyl-2-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazine-8-carbonyl)amino]phenyl]propanoic acid
CID 119253854
(2S)-9-[1-(4-methoxyphenyl)ethenyl]-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 121277955
N-(3,4-dimethylphenyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701895
N-(3-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701603
N-(3-bromophenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701633
2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17493174
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701635
2-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-8-carboxamide
CID 110701815
(4R)-N-(3-ethoxyphenyl)-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide
CID 121278001

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-4-oxo-N-phenyl-3,5-dihydro-2H-1,5-benzoxazepine-9-carboxamide?
The IUPAC name of (2S)-2-methyl-4-oxo-N-phenyl-3,5-dihydro-2H-1,5-benzoxazepine-9-carboxamide (CID 121278040) is (2S)-2-methyl-4-oxo-N-phenyl-3,5-dihydro-2H-1,5-benzoxazepine-9-carboxamide.
What is the SMILES notation for (2S)-2-methyl-4-oxo-N-phenyl-3,5-dihydro-2H-1,5-benzoxazepine-9-carboxamide?
The canonical SMILES for (2S)-2-methyl-4-oxo-N-phenyl-3,5-dihydro-2H-1,5-benzoxazepine-9-carboxamide is C[C@H]1CC(=O)Nc2cccc(C(=O)Nc3ccccc3)c2O1.
What is the InChIKey of (2S)-2-methyl-4-oxo-N-phenyl-3,5-dihydro-2H-1,5-benzoxazepine-9-carboxamide?
The InChIKey is BJIRPCHZVXAWDW-NSHDSACASA-N. The full InChI is InChI=1S/C17H16N2O3/c1-11-10-15(20)19-14-9-5-8-13(16(14)22-11)17(21)18-12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,18,21)(H,19,20)/t11-/m0/s1.
What are the key properties of (2S)-2-methyl-4-oxo-N-phenyl-3,5-dihydro-2H-1,5-benzoxazepine-9-carboxamide?
(2S)-2-methyl-4-oxo-N-phenyl-3,5-dihydro-2H-1,5-benzoxazepine-9-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-4-oxo-N-phenyl-3,5-dihydro-2H-1,5-benzoxazepine-9-carboxamide is sourced from PubChem (CID 121278040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).