N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide

C24H20N4O3 — CID 135777384

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide
SMILESO=C(CN1C(=O)CN=C(c2ccccc2)c2ccccc21)N/N=C/c1ccccc1O
InChIInChI=1S/C24H20N4O3/c29-21-13-7-4-10-18(21)14-26-27-22(30)16-28-20-12-6-5-11-19(20)24(25-15-23(28)31)17-8-2-1-3-9-17/h1-14,29H,15-16H2,(H,27,30)/b26-14+
InChIKeyJUPAHEHBIZOYGK-VULFUBBASA-N
MW412.45 g/mol
LogP2.73
Rot. Bonds5

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide (PubChem CID 135777384) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide
PubChem CID135777384
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide
SMILESO=C(CN1C(=O)CN=C(c2ccccc2)c2ccccc21)N/N=C/c1ccccc1O
InChIInChI=1S/C24H20N4O3/c29-21-13-7-4-10-18(21)14-26-27-22(30)16-28-20-12-6-5-11-19(20)24(25-15-23(28)31)17-8-2-1-3-9-17/h1-14,29H,15-16H2,(H,27,30)/b26-14+
InChIKeyJUPAHEHBIZOYGK-VULFUBBASA-N
XLogP2.73
TPSA94.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 6088927
N-(2,3-dimethylphenyl)-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide
CID 4231093
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 153408141
2-(7-bromo-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)-N-[(Z)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]acetamide
CID 137261880
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]amino]acetamide
CID 177478603
1-acetyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 12570850
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-nitrosoamino]acetamide
CID 135747209
2-(1,3-dioxoisoindol-2-yl)-N-[(Z)-(2-hydroxy-4-prop-2-enylphenyl)methylideneamino]acetamide
CID 136896451
3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropanoate
CID 135683195
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]decanediamide
CID 135555032
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 135731113
N-[(E)-(2-hydroxyphenyl)methylideneamino]pentanamide
CID 135509646

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide (CID 135777384) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide is O=C(CN1C(=O)CN=C(c2ccccc2)c2ccccc21)N/N=C/c1ccccc1O.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide?
The InChIKey is JUPAHEHBIZOYGK-VULFUBBASA-N. The full InChI is InChI=1S/C24H20N4O3/c29-21-13-7-4-10-18(21)14-26-27-22(30)16-28-20-12-6-5-11-19(20)24(25-15-23(28)31)17-8-2-1-3-9-17/h1-14,29H,15-16H2,(H,27,30)/b26-14+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide has a molecular weight of 412.45 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide is sourced from PubChem (CID 135777384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).