N-hydroxy-4-[(3-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide

C18H20N2O4 — CID 172715872

IUPACN-hydroxy-4-[(3-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
SMILESCOc1cccc(CN2CCOc3cc(C(=O)NO)ccc3C2)c1
InChIInChI=1S/C18H20N2O4/c1-23-16-4-2-3-13(9-16)11-20-7-8-24-17-10-14(18(21)19-22)5-6-15(17)12-20/h2-6,9-10,22H,7-8,11-12H2,1H3,(H,19,21)
InChIKeyFVXPMGVFVBHHAN-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.21
Rot. Bonds4

About N-hydroxy-4-[(3-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide

N-hydroxy-4-[(3-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide (PubChem CID 172715872) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-hydroxy-4-[(3-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[(3-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
PubChem CID172715872
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-hydroxy-4-[(3-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
SMILESCOc1cccc(CN2CCOc3cc(C(=O)NO)ccc3C2)c1
InChIInChI=1S/C18H20N2O4/c1-23-16-4-2-3-13(9-16)11-20-7-8-24-17-10-14(18(21)19-22)5-6-15(17)12-20/h2-6,9-10,22H,7-8,11-12H2,1H3,(H,19,21)
InChIKeyFVXPMGVFVBHHAN-UHFFFAOYSA-N
XLogP2.21
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.21
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'}

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Related Compounds

N-hydroxy-4-[2-(3-methoxyphenyl)-2-methylpropanoyl]-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122440154
N-hydroxy-4-[2-(2-phenoxyphenyl)acetyl]-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122440340
4-(2,6-dimethylbenzoyl)-N-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122440211
N-hydroxy-1'-[(3-methoxyphenyl)methyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 140747792
N-hydroxy-4-(3-phenylbutanoyl)-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122440186
N-hydroxy-4-(4-methoxypiperidine-1-carbonyl)-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122438089
1-[4-[2-[(8-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]phenyl]piperazin-1-yl]ethanone
CID 126803075
methyl 4-[[9-methoxy-7-(3-methoxyphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoate
CID 42472518
4-(3-fluorophenyl)-N-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 138555750
4-(2-cyclopropylacetyl)-N-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122440141
N-[3-(3-methoxyphenyl)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 95172560
N-(2,5-dimethoxyphenyl)-3-(morpholin-4-ylmethyl)benzamide
CID 28572616

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(3-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide?
The IUPAC name of N-hydroxy-4-[(3-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide (CID 172715872) is N-hydroxy-4-[(3-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide.
What is the SMILES notation for N-hydroxy-4-[(3-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide?
The canonical SMILES for N-hydroxy-4-[(3-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide is COc1cccc(CN2CCOc3cc(C(=O)NO)ccc3C2)c1.
What is the InChIKey of N-hydroxy-4-[(3-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide?
The InChIKey is FVXPMGVFVBHHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-23-16-4-2-3-13(9-16)11-20-7-8-24-17-10-14(18(21)19-22)5-6-15(17)12-20/h2-6,9-10,22H,7-8,11-12H2,1H3,(H,19,21).
What are the key properties of N-hydroxy-4-[(3-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide?
N-hydroxy-4-[(3-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.21, 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-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide is sourced from PubChem (CID 172715872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).