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

C20H23N3O4 — CID 122437946

IUPACN-hydroxy-2-oxo-4-[(4-propan-2-yloxyphenyl)methyl]-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide
SMILESCC(C)Oc1ccc(CN2CC(=O)Nc3ccc(C(=O)NO)cc3C2)cc1
InChIInChI=1S/C20H23N3O4/c1-13(2)27-17-6-3-14(4-7-17)10-23-11-16-9-15(20(25)22-26)5-8-18(16)21-19(24)12-23/h3-9,13,26H,10-12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyHHOSWJMLSBBVPK-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.55
Rot. Bonds5

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

N-hydroxy-2-oxo-4-[(4-propan-2-yloxyphenyl)methyl]-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide (PubChem CID 122437946) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-hydroxy-2-oxo-4-[(4-propan-2-yloxyphenyl)methyl]-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-oxo-4-[(4-propan-2-yloxyphenyl)methyl]-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide
PubChem CID122437946
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-hydroxy-2-oxo-4-[(4-propan-2-yloxyphenyl)methyl]-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide
SMILESCC(C)Oc1ccc(CN2CC(=O)Nc3ccc(C(=O)NO)cc3C2)cc1
InChIInChI=1S/C20H23N3O4/c1-13(2)27-17-6-3-14(4-7-17)10-23-11-16-9-15(20(25)22-26)5-8-18(16)21-19(24)12-23/h3-9,13,26H,10-12H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyHHOSWJMLSBBVPK-UHFFFAOYSA-N
XLogP2.55
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.55
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

4-[(4-chlorophenyl)methyl]-N-hydroxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide
CID 122438301
4-(1H-benzimidazol-2-ylmethyl)-N-hydroxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide
CID 122437849
N-hydroxy-4-[(4-methoxyphenyl)methyl]-1-methyl-2-oxo-3,5-dihydro-1,4-benzodiazepine-7-carboxamide
CID 122437895
N-hydroxy-4-[(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]benzamide
CID 16661455
N-hydroxy-4-[2-(4-methoxyphenyl)ethyl]-2,5-dioxo-1,3-dihydro-1,4-benzodiazepine-7-carboxamide
CID 138556030
3-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-4H-1,4-benzoxazine-7-carboxamide
CID 55959074
4-(4-propan-2-yloxybenzoyl)piperazine-2,6-dione
CID 66085905
4-[(4-propan-2-yloxyphenyl)methyl]piperazine-1-carboxylic acid
CID 118040700
1-[4-[(4-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethanone;sulfane
CID 170978699
3-oxo-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]-4H-1,4-benzothiazine-6-carboxamide
CID 60533644
N-[(4-propan-2-yloxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704146
N-[(4-methoxyphenyl)methyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 11346996

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-oxo-4-[(4-propan-2-yloxyphenyl)methyl]-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide?
The IUPAC name of N-hydroxy-2-oxo-4-[(4-propan-2-yloxyphenyl)methyl]-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide (CID 122437946) is N-hydroxy-2-oxo-4-[(4-propan-2-yloxyphenyl)methyl]-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide.
What is the SMILES notation for N-hydroxy-2-oxo-4-[(4-propan-2-yloxyphenyl)methyl]-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide?
The canonical SMILES for N-hydroxy-2-oxo-4-[(4-propan-2-yloxyphenyl)methyl]-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide is CC(C)Oc1ccc(CN2CC(=O)Nc3ccc(C(=O)NO)cc3C2)cc1.
What is the InChIKey of N-hydroxy-2-oxo-4-[(4-propan-2-yloxyphenyl)methyl]-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide?
The InChIKey is HHOSWJMLSBBVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-13(2)27-17-6-3-14(4-7-17)10-23-11-16-9-15(20(25)22-26)5-8-18(16)21-19(24)12-23/h3-9,13,26H,10-12H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-hydroxy-2-oxo-4-[(4-propan-2-yloxyphenyl)methyl]-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide?
N-hydroxy-2-oxo-4-[(4-propan-2-yloxyphenyl)methyl]-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-oxo-4-[(4-propan-2-yloxyphenyl)methyl]-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide is sourced from PubChem (CID 122437946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).