N-benzyl-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)acetamide

C18H18N2O3 — CID 110770722

IUPACN-benzyl-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)NC(=O)CCO2)NCc1ccccc1
InChIInChI=1S/C18H18N2O3/c21-17-8-9-23-16-7-6-14(10-15(16)20-17)11-18(22)19-12-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,19,22)(H,20,21)
InChIKeyLSVCKQYLURLPLP-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.27
Rot. Bonds4

About N-benzyl-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)acetamide

N-benzyl-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)acetamide (PubChem CID 110770722) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-benzyl-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)acetamide
PubChem CID110770722
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-benzyl-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)NC(=O)CCO2)NCc1ccccc1
InChIInChI=1S/C18H18N2O3/c21-17-8-9-23-16-7-6-14(10-15(16)20-17)11-18(22)19-12-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,19,22)(H,20,21)
InChIKeyLSVCKQYLURLPLP-UHFFFAOYSA-N
XLogP2.27
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)acetamide
CID 110770729
N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]-3-phenylpropanamide
CID 110783785
N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]-2-thiophen-2-ylacetamide
CID 110783780
1-benzyl-3-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)urea
CID 110774636
3,3-dimethyl-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]butanamide
CID 110783804
2-(2-fluorophenoxy)-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]acetamide
CID 110783822
N-[(4-chlorophenyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide
CID 110763970
1-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]-3-propan-2-ylurea
CID 110775255
N-[(3-methylphenyl)methyl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770256
6-oxo-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]-1H-pyridazine-3-carboxamide
CID 110794379
2-chloro-6-fluoro-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]benzamide
CID 110783795
N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-2-pyridin-4-ylacetamide
CID 59802771

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)acetamide?
The IUPAC name of N-benzyl-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)acetamide (CID 110770722) is N-benzyl-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)acetamide?
The canonical SMILES for N-benzyl-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)acetamide is O=C(Cc1ccc2c(c1)NC(=O)CCO2)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)acetamide?
The InChIKey is LSVCKQYLURLPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-17-8-9-23-16-7-6-14(10-15(16)20-17)11-18(22)19-12-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,19,22)(H,20,21).
What are the key properties of N-benzyl-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)acetamide?
N-benzyl-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)acetamide has a molecular weight of 310.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)acetamide is sourced from PubChem (CID 110770722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).