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

C18H20N2O4 — CID 126645975

IUPACN-hydroxy-4-[(4-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide
SMILESCOc1ccc(CN2c3cc(C(=O)NO)ccc3OCC2C)cc1
InChIInChI=1S/C18H20N2O4/c1-12-11-24-17-8-5-14(18(21)19-22)9-16(17)20(12)10-13-3-6-15(23-2)7-4-13/h3-9,12,22H,10-11H2,1-2H3,(H,19,21)
InChIKeyKDQBDCKIFRMEMH-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.60
Rot. Bonds4

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

N-hydroxy-4-[(4-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide (PubChem CID 126645975) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-hydroxy-4-[(4-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[(4-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide
PubChem CID126645975
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-hydroxy-4-[(4-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide
SMILESCOc1ccc(CN2c3cc(C(=O)NO)ccc3OCC2C)cc1
InChIInChI=1S/C18H20N2O4/c1-12-11-24-17-8-5-14(18(21)19-22)9-16(17)20(12)10-13-3-6-15(23-2)7-4-13/h3-9,12,22H,10-11H2,1-2H3,(H,19,21)
InChIKeyKDQBDCKIFRMEMH-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
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

4-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-3-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide
CID 20956123
4-benzyl-3-methyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide
CID 46344387
4-[(4-methoxyphenyl)methyl]-N-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 147148342
2-benzyl-N-hydroxy-4-[(4-methoxyphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126645868
N-hydroxy-4-[[(3R,5S)-4-(4-methoxybenzoyl)-3,5-dimethylpiperazin-1-yl]methyl]benzamide
CID 118367551
N-[2-(dimethylamino)ethyl]-4-[(3-fluorophenyl)methyl]-3-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide
CID 46397293
4-[(2,4-dimethoxyphenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126645596
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide
CID 100729262
methyl 4-[(4-methoxyphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxylate
CID 126645833
4-[(2-fluoro-4-methoxyphenyl)methyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126646017
dimethylcarbamoyl 4-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-6-carboxylate
CID 145271092
N-hydroxy-4-[(4-methoxyphenyl)methyl]-1-methyl-2-oxo-3,5-dihydro-1,4-benzodiazepine-7-carboxamide
CID 122437895

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(4-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-hydroxy-4-[(4-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide (CID 126645975) is N-hydroxy-4-[(4-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-hydroxy-4-[(4-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-hydroxy-4-[(4-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide is COc1ccc(CN2c3cc(C(=O)NO)ccc3OCC2C)cc1.
What is the InChIKey of N-hydroxy-4-[(4-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide?
The InChIKey is KDQBDCKIFRMEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-12-11-24-17-8-5-14(18(21)19-22)9-16(17)20(12)10-13-3-6-15(23-2)7-4-13/h3-9,12,22H,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-hydroxy-4-[(4-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide?
N-hydroxy-4-[(4-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(4-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 126645975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).