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

C18H24N2O3 — CID 110770827

IUPACN-cyclohexyl-2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)acetamide
SMILESCN1C(=O)CCOc2ccc(CC(=O)NC3CCCCC3)cc21
InChIInChI=1S/C18H24N2O3/c1-20-15-11-13(7-8-16(15)23-10-9-18(20)22)12-17(21)19-14-5-3-2-4-6-14/h7-8,11,14H,2-6,9-10,12H2,1H3,(H,19,21)
InChIKeyGWDDSNUXAXWARR-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.42
Rot. Bonds3

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

N-cyclohexyl-2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)acetamide (PubChem CID 110770827) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-cyclohexyl-2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)acetamide
PubChem CID110770827
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-cyclohexyl-2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)acetamide
SMILESCN1C(=O)CCOc2ccc(CC(=O)NC3CCCCC3)cc21
InChIInChI=1S/C18H24N2O3/c1-20-15-11-13(7-8-16(15)23-10-9-18(20)22)12-17(21)19-14-5-3-2-4-6-14/h7-8,11,14H,2-6,9-10,12H2,1H3,(H,19,21)
InChIKeyGWDDSNUXAXWARR-UHFFFAOYSA-N
XLogP2.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-N-(2-methylpropyl)acetamide
CID 110770822
N-cyclopentyl-2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)acetamide
CID 110768543
2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-N-pentylacetamide
CID 110770862
N-cyclopentyl-2-(3,4-dihydro-2H-chromen-6-yl)acetamide
CID 110771100
N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)cyclohexanecarboxamide
CID 110778343
3-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)propanoic acid
CID 82232417
1-[(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)methyl]-3-propan-2-ylurea
CID 110775263
N-cyclopentyl-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-7-sulfonamide
CID 110759146
N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)cyclopentanecarboxamide
CID 110778347
2-(2-fluorophenyl)-N-[(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)methyl]acetamide
CID 110783886
N-(3-methoxyphenyl)-2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)acetamide
CID 110770888
5-methyl-7-(3-methylbutyl)-2,3-dihydro-1,5-benzoxazepin-4-one
CID 156648301

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)acetamide (CID 110770827) is N-cyclohexyl-2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)acetamide is CN1C(=O)CCOc2ccc(CC(=O)NC3CCCCC3)cc21.
What is the InChIKey of N-cyclohexyl-2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)acetamide?
The InChIKey is GWDDSNUXAXWARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-20-15-11-13(7-8-16(15)23-10-9-18(20)22)12-17(21)19-14-5-3-2-4-6-14/h7-8,11,14H,2-6,9-10,12H2,1H3,(H,19,21).
What are the key properties of N-cyclohexyl-2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)acetamide?
N-cyclohexyl-2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)acetamide has a molecular weight of 316.40 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)acetamide is sourced from PubChem (CID 110770827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).