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

C16H22N2O3 — CID 110770822

IUPAC2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cc1ccc2c(c1)N(C)C(=O)CCO2
InChIInChI=1S/C16H22N2O3/c1-11(2)10-17-15(19)9-12-4-5-14-13(8-12)18(3)16(20)6-7-21-14/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,17,19)
InChIKeySIQMLRCOGCBCPC-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.75
Rot. Bonds4

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

2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-N-(2-methylpropyl)acetamide (PubChem CID 110770822) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-N-(2-methylpropyl)acetamide
PubChem CID110770822
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cc1ccc2c(c1)N(C)C(=O)CCO2
InChIInChI=1S/C16H22N2O3/c1-11(2)10-17-15(19)9-12-4-5-14-13(8-12)18(3)16(20)6-7-21-14/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,17,19)
InChIKeySIQMLRCOGCBCPC-UHFFFAOYSA-N
XLogP1.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-(2-methylpropyl)acetamide
CID 110770379
2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-N-pentylacetamide
CID 110770862
1-[(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)methyl]-3-propan-2-ylurea
CID 110775263
5-methyl-7-(3-methylbutyl)-2,3-dihydro-1,5-benzoxazepin-4-one
CID 156648301
2-(2-fluorophenyl)-N-[(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)methyl]acetamide
CID 110783886
N-cyclohexyl-2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)acetamide
CID 110770827
3-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)propanoic acid
CID 82232417
N-(3-methoxyphenyl)-2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)acetamide
CID 110770888
N-[(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110794390
5-methyl-7-[1-(methylamino)propan-2-yl]-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82498737
5-methyl-7-[2-(methylamino)propanoyl]-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82501038
5-methyl-4-oxo-N-prop-2-enyl-2,3-dihydro-1,5-benzoxazepine-7-carboxamide
CID 110764086

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-N-(2-methylpropyl)acetamide (CID 110770822) is 2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)Cc1ccc2c(c1)N(C)C(=O)CCO2.
What is the InChIKey of 2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is SIQMLRCOGCBCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(2)10-17-15(19)9-12-4-5-14-13(8-12)18(3)16(20)6-7-21-14/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,17,19).
What are the key properties of 2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-N-(2-methylpropyl)acetamide?
2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 290.36 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 110770822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).