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

C19H19N3O5 — CID 138556030

IUPACN-hydroxy-4-[2-(4-methoxyphenyl)ethyl]-2,5-dioxo-1,3-dihydro-1,4-benzodiazepine-7-carboxamide
SMILESCOc1ccc(CCN2CC(=O)Nc3ccc(C(=O)NO)cc3C2=O)cc1
InChIInChI=1S/C19H19N3O5/c1-27-14-5-2-12(3-6-14)8-9-22-11-17(23)20-16-7-4-13(18(24)21-26)10-15(16)19(22)25/h2-7,10,26H,8-9,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyJWLNDYWDXYJBJK-UHFFFAOYSA-N
MW369.38 g/mol
LogP1.45
Rot. Bonds5

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

N-hydroxy-4-[2-(4-methoxyphenyl)ethyl]-2,5-dioxo-1,3-dihydro-1,4-benzodiazepine-7-carboxamide (PubChem CID 138556030) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-hydroxy-4-[2-(4-methoxyphenyl)ethyl]-2,5-dioxo-1,3-dihydro-1,4-benzodiazepine-7-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[2-(4-methoxyphenyl)ethyl]-2,5-dioxo-1,3-dihydro-1,4-benzodiazepine-7-carboxamide
PubChem CID138556030
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC NameN-hydroxy-4-[2-(4-methoxyphenyl)ethyl]-2,5-dioxo-1,3-dihydro-1,4-benzodiazepine-7-carboxamide
SMILESCOc1ccc(CCN2CC(=O)Nc3ccc(C(=O)NO)cc3C2=O)cc1
InChIInChI=1S/C19H19N3O5/c1-27-14-5-2-12(3-6-14)8-9-22-11-17(23)20-16-7-4-13(18(24)21-26)10-15(16)19(22)25/h2-7,10,26H,8-9,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyJWLNDYWDXYJBJK-UHFFFAOYSA-N
XLogP1.45
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.45
H-Bond Donors ≤ 53
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

5-bromo-6-methoxy-2-[2-(4-methoxyphenyl)ethyl]-3H-isoindol-1-one
CID 170050760
N-hydroxy-2-oxo-4-[(4-propan-2-yloxyphenyl)methyl]-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide
CID 122437946
N-hydroxy-4-[(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]benzamide
CID 16661455
N-[(4-methoxyphenyl)methyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 11346996
methyl 2-[(4-methoxyphenyl)methyl]-3-oxo-1H-isoindole-5-carboxylate
CID 58243740
N-hydroxy-4-[(4-methoxyphenyl)methyl]-1-methyl-2-oxo-3,5-dihydro-1,4-benzodiazepine-7-carboxamide
CID 122437895
N-[2-(4-methoxyphenyl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763772
N-[(4-carbamoylphenyl)methyl]-2-[2-(4-methoxyphenyl)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108766212
N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-4-methoxybenzamide
CID 42345548
4-[(4-chlorophenyl)methyl]-N-hydroxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide
CID 122438301
N-hydroxy-2-[2-(4-methoxyphenyl)ethylamino]-2,3-dihydro-1,3-benzoxazole-5-carboxamide
CID 166668496
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 48502422

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[2-(4-methoxyphenyl)ethyl]-2,5-dioxo-1,3-dihydro-1,4-benzodiazepine-7-carboxamide?
The IUPAC name of N-hydroxy-4-[2-(4-methoxyphenyl)ethyl]-2,5-dioxo-1,3-dihydro-1,4-benzodiazepine-7-carboxamide (CID 138556030) is N-hydroxy-4-[2-(4-methoxyphenyl)ethyl]-2,5-dioxo-1,3-dihydro-1,4-benzodiazepine-7-carboxamide.
What is the SMILES notation for N-hydroxy-4-[2-(4-methoxyphenyl)ethyl]-2,5-dioxo-1,3-dihydro-1,4-benzodiazepine-7-carboxamide?
The canonical SMILES for N-hydroxy-4-[2-(4-methoxyphenyl)ethyl]-2,5-dioxo-1,3-dihydro-1,4-benzodiazepine-7-carboxamide is COc1ccc(CCN2CC(=O)Nc3ccc(C(=O)NO)cc3C2=O)cc1.
What is the InChIKey of N-hydroxy-4-[2-(4-methoxyphenyl)ethyl]-2,5-dioxo-1,3-dihydro-1,4-benzodiazepine-7-carboxamide?
The InChIKey is JWLNDYWDXYJBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-27-14-5-2-12(3-6-14)8-9-22-11-17(23)20-16-7-4-13(18(24)21-26)10-15(16)19(22)25/h2-7,10,26H,8-9,11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-hydroxy-4-[2-(4-methoxyphenyl)ethyl]-2,5-dioxo-1,3-dihydro-1,4-benzodiazepine-7-carboxamide?
N-hydroxy-4-[2-(4-methoxyphenyl)ethyl]-2,5-dioxo-1,3-dihydro-1,4-benzodiazepine-7-carboxamide has a molecular weight of 369.38 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[2-(4-methoxyphenyl)ethyl]-2,5-dioxo-1,3-dihydro-1,4-benzodiazepine-7-carboxamide is sourced from PubChem (CID 138556030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).