N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-3,3-dimethylbutanamide

C17H24N2O3 — CID 16820498

IUPACN-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1ccc2c(c1)NC(=O)C(C)(C)CO2
InChIInChI=1S/C17H24N2O3/c1-16(2,3)9-14(20)18-11-6-7-13-12(8-11)19-15(21)17(4,5)10-22-13/h6-8H,9-10H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyRLGCYKPFBFTXRW-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.42
Rot. Bonds2

About N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-3,3-dimethylbutanamide

N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-3,3-dimethylbutanamide (PubChem CID 16820498) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-3,3-dimethylbutanamide
PubChem CID16820498
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1ccc2c(c1)NC(=O)C(C)(C)CO2
InChIInChI=1S/C17H24N2O3/c1-16(2,3)9-14(20)18-11-6-7-13-12(8-11)19-15(21)17(4,5)10-22-13/h6-8H,9-10H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyRLGCYKPFBFTXRW-UHFFFAOYSA-N
XLogP3.42
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-3,3-dimethylbutanamide with MolForge

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Related Compounds

N-(3-amino-4-ethoxyphenyl)acetamide
CID 28207
3'-Amino-4'-methoxyacetanilide
CID 80779
Butanoic acid, 3-[[5-(acetylamino)-2-methoxyphenyl]amino]-, ethyl ester
CID 172818
Benzene, 1,3-bis(2-methyl-1-oxo-2-propenylamino)-4-(1,1,2,2-tetrafluoroethoxy)-
CID 549527
N-[3-acetamido-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]acetamide
CID 2831257
2-Methyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-4-one
CID 572983
3-methyl-N-(2-phenoxyphenyl)butanamide
CID 2165998
N-(2-ethoxyphenyl)-2-methylbutanamide
CID 2904389
Acetamide, N-(3-(diethylamino)-4-methoxyphenyl)-
CID 88058
Acetamide, N-(2-butoxyphenyl)-
CID 10756
Acetanilide, 3'-acetamido-4'-allyloxy-
CID 58604
N-(4-(pentyloxy)phenyl)pivalamide
CID 1571346

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-3,3-dimethylbutanamide?
The IUPAC name of N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-3,3-dimethylbutanamide (CID 16820498) is N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1ccc2c(c1)NC(=O)C(C)(C)CO2.
What is the InChIKey of N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-3,3-dimethylbutanamide?
The InChIKey is RLGCYKPFBFTXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-16(2,3)9-14(20)18-11-6-7-13-12(8-11)19-15(21)17(4,5)10-22-13/h6-8H,9-10H2,1-5H3,(H,18,20)(H,19,21).
What are the key properties of N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-3,3-dimethylbutanamide?
N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-3,3-dimethylbutanamide has a molecular weight of 304.39 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-7-yl)-3,3-dimethylbutanamide is sourced from PubChem (CID 16820498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).