N-hydroxy-4-(3-methoxypropanoyl)-3,3-dimethyl-2,5-dihydro-1,4-benzoxazepine-8-carboxamide

C16H22N2O5 — CID 138570898

IUPACN-hydroxy-4-(3-methoxypropanoyl)-3,3-dimethyl-2,5-dihydro-1,4-benzoxazepine-8-carboxamide
SMILESCOCCC(=O)N1Cc2ccc(C(=O)NO)cc2OCC1(C)C
InChIInChI=1S/C16H22N2O5/c1-16(2)10-23-13-8-11(15(20)17-21)4-5-12(13)9-18(16)14(19)6-7-22-3/h4-5,8,21H,6-7,9-10H2,1-3H3,(H,17,20)
InChIKeyYPTFHGBBIYARIZ-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.34
Rot. Bonds4

About N-hydroxy-4-(3-methoxypropanoyl)-3,3-dimethyl-2,5-dihydro-1,4-benzoxazepine-8-carboxamide

N-hydroxy-4-(3-methoxypropanoyl)-3,3-dimethyl-2,5-dihydro-1,4-benzoxazepine-8-carboxamide (PubChem CID 138570898) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-hydroxy-4-(3-methoxypropanoyl)-3,3-dimethyl-2,5-dihydro-1,4-benzoxazepine-8-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-(3-methoxypropanoyl)-3,3-dimethyl-2,5-dihydro-1,4-benzoxazepine-8-carboxamide
PubChem CID138570898
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC NameN-hydroxy-4-(3-methoxypropanoyl)-3,3-dimethyl-2,5-dihydro-1,4-benzoxazepine-8-carboxamide
SMILESCOCCC(=O)N1Cc2ccc(C(=O)NO)cc2OCC1(C)C
InChIInChI=1S/C16H22N2O5/c1-16(2)10-23-13-8-11(15(20)17-21)4-5-12(13)9-18(16)14(19)6-7-22-3/h4-5,8,21H,6-7,9-10H2,1-3H3,(H,17,20)
InChIKeyYPTFHGBBIYARIZ-UHFFFAOYSA-N
XLogP1.34
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-4-(3-methoxypropanoyl)-3,3-dimethyl-2,5-dihydro-1,4-benzoxazepine-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hydroxy-3,3-dimethyl-4-(1-methylcyclobutanecarbonyl)-2,5-dihydro-1,4-benzoxazepine-8-carboxamide
CID 122440682
(3S)-N-hydroxy-4-(3-methoxypropyl)-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122438159
N-hydroxy-4-[3-(methoxymethyl)oxetane-3-carbonyl]-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122440419
4-(2-cyclopropylacetyl)-N-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122440141
4-ethyl-N-hydroxy-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122438286
N-hydroxy-4-(1-pyrazol-1-yloxycyclopropanecarbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 138570745
2-azaspiro[4.4]nonane-2-carbonyl 8-(hydroxycarbamoyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxylate
CID 142799688
(3S)-8-(hydroxycarbamoyl)-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxylic acid
CID 122437823
N-hydroxy-4-methyl-3-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122438063
N-hydroxy-4-(3-methoxy-3-methylbutanoyl)-3-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122439485
(3S)-N-hydroxy-4-(3-methoxy-3-methylbutanoyl)-3-phenyl-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122439482
N-hydroxy-4-(4-methoxypiperidine-1-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122438089

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-(3-methoxypropanoyl)-3,3-dimethyl-2,5-dihydro-1,4-benzoxazepine-8-carboxamide?
The IUPAC name of N-hydroxy-4-(3-methoxypropanoyl)-3,3-dimethyl-2,5-dihydro-1,4-benzoxazepine-8-carboxamide (CID 138570898) is N-hydroxy-4-(3-methoxypropanoyl)-3,3-dimethyl-2,5-dihydro-1,4-benzoxazepine-8-carboxamide.
What is the SMILES notation for N-hydroxy-4-(3-methoxypropanoyl)-3,3-dimethyl-2,5-dihydro-1,4-benzoxazepine-8-carboxamide?
The canonical SMILES for N-hydroxy-4-(3-methoxypropanoyl)-3,3-dimethyl-2,5-dihydro-1,4-benzoxazepine-8-carboxamide is COCCC(=O)N1Cc2ccc(C(=O)NO)cc2OCC1(C)C.
What is the InChIKey of N-hydroxy-4-(3-methoxypropanoyl)-3,3-dimethyl-2,5-dihydro-1,4-benzoxazepine-8-carboxamide?
The InChIKey is YPTFHGBBIYARIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-16(2)10-23-13-8-11(15(20)17-21)4-5-12(13)9-18(16)14(19)6-7-22-3/h4-5,8,21H,6-7,9-10H2,1-3H3,(H,17,20).
What are the key properties of N-hydroxy-4-(3-methoxypropanoyl)-3,3-dimethyl-2,5-dihydro-1,4-benzoxazepine-8-carboxamide?
N-hydroxy-4-(3-methoxypropanoyl)-3,3-dimethyl-2,5-dihydro-1,4-benzoxazepine-8-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-(3-methoxypropanoyl)-3,3-dimethyl-2,5-dihydro-1,4-benzoxazepine-8-carboxamide is sourced from PubChem (CID 138570898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).