N-hydroxy-4-[(2-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide

C17H18N2O3 — CID 126645914

IUPACN-hydroxy-4-[(2-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide
SMILESCc1ccccc1CN1CCOc2ccc(C(=O)NO)cc21
InChIInChI=1S/C17H18N2O3/c1-12-4-2-3-5-14(12)11-19-8-9-22-16-7-6-13(10-15(16)19)17(20)18-21/h2-7,10,21H,8-9,11H2,1H3,(H,18,20)
InChIKeyVYWPNTLBXSLCQC-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.51
Rot. Bonds3

About N-hydroxy-4-[(2-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide

N-hydroxy-4-[(2-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide (PubChem CID 126645914) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-hydroxy-4-[(2-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[(2-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide
PubChem CID126645914
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-hydroxy-4-[(2-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide
SMILESCc1ccccc1CN1CCOc2ccc(C(=O)NO)cc21
InChIInChI=1S/C17H18N2O3/c1-12-4-2-3-5-14(12)11-19-8-9-22-16-7-6-13(10-15(16)19)17(20)18-21/h2-7,10,21H,8-9,11H2,1H3,(H,18,20)
InChIKeyVYWPNTLBXSLCQC-UHFFFAOYSA-N
XLogP2.51
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(2-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-6-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

4-[(2-chlorophenyl)methyl]-N-hydroxy-2,3-dihydro-1,4-benzoxazine-6-carboxamide
CID 126645628
N-hydroxy-4-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide
CID 126645633
3-[[6-(hydroxycarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]benzenesulfinate
CID 126677382
4-(2,6-dimethylbenzoyl)-N-hydroxy-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122440211
3-chloro-4-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)benzoic acid
CID 117219287
2-chloro-1-[4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]ethanone
CID 82340103
N-[2-(2-methylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 18114578
N-hydroxy-4-(3-phenylbutanoyl)-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122440186
2-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-5-hydroxybenzoic acid
CID 117220789
N-hydroxy-4-[2-(2-phenoxyphenyl)acetyl]-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 122440340
4-benzyl-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid
CID 82379365
4-benzoyl-N-hydroxy-2,3,5,6-tetrahydro-1,4-benzoxazocine-9-carboxamide
CID 122439239

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(2-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-hydroxy-4-[(2-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide (CID 126645914) is N-hydroxy-4-[(2-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-hydroxy-4-[(2-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-hydroxy-4-[(2-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide is Cc1ccccc1CN1CCOc2ccc(C(=O)NO)cc21.
What is the InChIKey of N-hydroxy-4-[(2-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide?
The InChIKey is VYWPNTLBXSLCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12-4-2-3-5-14(12)11-19-8-9-22-16-7-6-13(10-15(16)19)17(20)18-21/h2-7,10,21H,8-9,11H2,1H3,(H,18,20).
What are the key properties of N-hydroxy-4-[(2-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide?
N-hydroxy-4-[(2-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(2-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 126645914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).