N-hydroxy-4-[(4-methoxyphenyl)methyl]-1-methyl-2-oxo-3,5-dihydro-1,4-benzodiazepine-7-carboxamide

C19H21N3O4 — CID 122437895

IUPACN-hydroxy-4-[(4-methoxyphenyl)methyl]-1-methyl-2-oxo-3,5-dihydro-1,4-benzodiazepine-7-carboxamide
SMILESCOc1ccc(CN2CC(=O)N(C)c3ccc(C(=O)NO)cc3C2)cc1
InChIInChI=1S/C19H21N3O4/c1-21-17-8-5-14(19(24)20-25)9-15(17)11-22(12-18(21)23)10-13-3-6-16(26-2)7-4-13/h3-9,25H,10-12H2,1-2H3,(H,20,24)
InChIKeyOBZUMNCHPPUIAK-UHFFFAOYSA-N
MW355.39 g/mol
LogP1.79
Rot. Bonds4

About N-hydroxy-4-[(4-methoxyphenyl)methyl]-1-methyl-2-oxo-3,5-dihydro-1,4-benzodiazepine-7-carboxamide

N-hydroxy-4-[(4-methoxyphenyl)methyl]-1-methyl-2-oxo-3,5-dihydro-1,4-benzodiazepine-7-carboxamide (PubChem CID 122437895) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-hydroxy-4-[(4-methoxyphenyl)methyl]-1-methyl-2-oxo-3,5-dihydro-1,4-benzodiazepine-7-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[(4-methoxyphenyl)methyl]-1-methyl-2-oxo-3,5-dihydro-1,4-benzodiazepine-7-carboxamide
PubChem CID122437895
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-hydroxy-4-[(4-methoxyphenyl)methyl]-1-methyl-2-oxo-3,5-dihydro-1,4-benzodiazepine-7-carboxamide
SMILESCOc1ccc(CN2CC(=O)N(C)c3ccc(C(=O)NO)cc3C2)cc1
InChIInChI=1S/C19H21N3O4/c1-21-17-8-5-14(19(24)20-25)9-15(17)11-22(12-18(21)23)10-13-3-6-16(26-2)7-4-13/h3-9,25H,10-12H2,1-2H3,(H,20,24)
InChIKeyOBZUMNCHPPUIAK-UHFFFAOYSA-N
XLogP1.79
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.79
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-2-oxo-4-[(4-propan-2-yloxyphenyl)methyl]-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide
CID 122437946
N-hydroxy-4-[[(3R,5S)-4-(4-methoxybenzoyl)-3,5-dimethylpiperazin-1-yl]methyl]benzamide
CID 118367551
N-hydroxy-4-[(8-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide
CID 156889610
4-[(4-chlorophenyl)methyl]-N-hydroxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide
CID 122438301
N-hydroxy-4-[(4-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1,4-benzoxazine-6-carboxamide
CID 126645975
2-benzyl-N-hydroxy-4-[(4-methoxyphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxamide
CID 126645868
N-hydroxy-4-[2-(4-methoxyphenyl)ethyl]-2,5-dioxo-1,3-dihydro-1,4-benzodiazepine-7-carboxamide
CID 138556030
10-[(4-methoxyphenyl)methyl]-2-(2-phenoxyacetyl)-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-14-carboxylic acid
CID 155994018
4-(4-methoxybenzoyl)-1-methyl-3H-quinoxalin-2-one
CID 110669554
N-hydroxy-4-[(3-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 172715872
1-[(4-fluorophenyl)methyl]-N-[1-(4-methoxyphenyl)ethyl]-2-oxo-3H-indole-5-carboxamide
CID 71840624
N-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)indole-6-carboxamide
CID 24753808

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(4-methoxyphenyl)methyl]-1-methyl-2-oxo-3,5-dihydro-1,4-benzodiazepine-7-carboxamide?
The IUPAC name of N-hydroxy-4-[(4-methoxyphenyl)methyl]-1-methyl-2-oxo-3,5-dihydro-1,4-benzodiazepine-7-carboxamide (CID 122437895) is N-hydroxy-4-[(4-methoxyphenyl)methyl]-1-methyl-2-oxo-3,5-dihydro-1,4-benzodiazepine-7-carboxamide.
What is the SMILES notation for N-hydroxy-4-[(4-methoxyphenyl)methyl]-1-methyl-2-oxo-3,5-dihydro-1,4-benzodiazepine-7-carboxamide?
The canonical SMILES for N-hydroxy-4-[(4-methoxyphenyl)methyl]-1-methyl-2-oxo-3,5-dihydro-1,4-benzodiazepine-7-carboxamide is COc1ccc(CN2CC(=O)N(C)c3ccc(C(=O)NO)cc3C2)cc1.
What is the InChIKey of N-hydroxy-4-[(4-methoxyphenyl)methyl]-1-methyl-2-oxo-3,5-dihydro-1,4-benzodiazepine-7-carboxamide?
The InChIKey is OBZUMNCHPPUIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-21-17-8-5-14(19(24)20-25)9-15(17)11-22(12-18(21)23)10-13-3-6-16(26-2)7-4-13/h3-9,25H,10-12H2,1-2H3,(H,20,24).
What are the key properties of N-hydroxy-4-[(4-methoxyphenyl)methyl]-1-methyl-2-oxo-3,5-dihydro-1,4-benzodiazepine-7-carboxamide?
N-hydroxy-4-[(4-methoxyphenyl)methyl]-1-methyl-2-oxo-3,5-dihydro-1,4-benzodiazepine-7-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 1.79, 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]-1-methyl-2-oxo-3,5-dihydro-1,4-benzodiazepine-7-carboxamide is sourced from PubChem (CID 122437895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).