N-(2,5-diethoxyphenyl)-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)acetamide

C22H25N3O5 — CID 46365546

IUPACN-(2,5-diethoxyphenyl)-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CN2C(=O)CN(C)C(=O)c3ccccc32)c1
InChIInChI=1S/C22H25N3O5/c1-4-29-15-10-11-19(30-5-2)17(12-15)23-20(26)13-25-18-9-7-6-8-16(18)22(28)24(3)14-21(25)27/h6-12H,4-5,13-14H2,1-3H3,(H,23,26)
InChIKeyVDIQDQPNYDJLLO-UHFFFAOYSA-N
MW411.46 g/mol
LogP2.54
Rot. Bonds7

About N-(2,5-diethoxyphenyl)-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)acetamide

N-(2,5-diethoxyphenyl)-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)acetamide (PubChem CID 46365546) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)acetamide
PubChem CID46365546
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC NameN-(2,5-diethoxyphenyl)-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)acetamide
SMILESCCOc1ccc(OCC)c(NC(=O)CN2C(=O)CN(C)C(=O)c3ccccc32)c1
InChIInChI=1S/C22H25N3O5/c1-4-29-15-10-11-19(30-5-2)17(12-15)23-20(26)13-25-18-9-7-6-8-16(18)22(28)24(3)14-21(25)27/h6-12H,4-5,13-14H2,1-3H3,(H,23,26)
InChIKeyVDIQDQPNYDJLLO-UHFFFAOYSA-N
XLogP2.54
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,5-diethoxyphenyl)-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)acetamide
CID 46365483
N-(2,5-diethoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 24564859
N-(2,5-diethoxyphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 24565235
N-(2-ethoxyphenyl)-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 22548654
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2,5-diethoxyphenyl)propanamide
CID 8909426
N-(2,5-diethoxyphenyl)-2-methylsulfanylacetamide
CID 33312505
N-(2,5-diethoxyphenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42927220
2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)-N-[3-(1,2-oxazol-5-yl)phenyl]acetamide
CID 46365556
N-(2-ethoxyphenyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 893347
N-(2,5-diethoxyphenyl)-2-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)acetamide
CID 22522541
N-(4-ethoxyphenyl)-4-[2-(2-methylanilino)-2-oxoethyl]-3-oxo-2H-quinoxaline-1-carboxamide
CID 53091095
N-(2,5-diethoxyphenyl)-2-ethoxybenzamide
CID 43000684

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)acetamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)acetamide (CID 46365546) is N-(2,5-diethoxyphenyl)-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)acetamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)acetamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)acetamide is CCOc1ccc(OCC)c(NC(=O)CN2C(=O)CN(C)C(=O)c3ccccc32)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)acetamide?
The InChIKey is VDIQDQPNYDJLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-4-29-15-10-11-19(30-5-2)17(12-15)23-20(26)13-25-18-9-7-6-8-16(18)22(28)24(3)14-21(25)27/h6-12H,4-5,13-14H2,1-3H3,(H,23,26).
What are the key properties of N-(2,5-diethoxyphenyl)-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)acetamide?
N-(2,5-diethoxyphenyl)-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)acetamide has a molecular weight of 411.46 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-2-(4-methyl-2,5-dioxo-3H-1,4-benzodiazepin-1-yl)acetamide is sourced from PubChem (CID 46365546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).