2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-methylbenzotriazol-5-yl)acetamide

C16H20N6O3 — CID 136549426

IUPAC2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-methylbenzotriazol-5-yl)acetamide
SMILESCCC1(CC)NC(=O)N(CC(=O)Nc2ccc3c(c2)nnn3C)C1=O
InChIInChI=1S/C16H20N6O3/c1-4-16(5-2)14(24)22(15(25)18-16)9-13(23)17-10-6-7-12-11(8-10)19-20-21(12)3/h6-8H,4-5,9H2,1-3H3,(H,17,23)(H,18,25)
InChIKeyRZIIEFYXOKVHPK-UHFFFAOYSA-N
MW344.38 g/mol
LogP1.02
Rot. Bonds5

About 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-methylbenzotriazol-5-yl)acetamide

2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-methylbenzotriazol-5-yl)acetamide (PubChem CID 136549426) has the molecular formula C16H20N6O3 and a molecular weight of 344.38 g/mol. Its IUPAC name is 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-methylbenzotriazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-methylbenzotriazol-5-yl)acetamide
PubChem CID136549426
Molecular FormulaC16H20N6O3
Molecular Weight344.38 g/mol
Exact Mass344.16
IUPAC Name2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-methylbenzotriazol-5-yl)acetamide
SMILESCCC1(CC)NC(=O)N(CC(=O)Nc2ccc3c(c2)nnn3C)C1=O
InChIInChI=1S/C16H20N6O3/c1-4-16(5-2)14(24)22(15(25)18-16)9-13(23)17-10-6-7-12-11(8-10)19-20-21(12)3/h6-8H,4-5,9H2,1-3H3,(H,17,23)(H,18,25)
InChIKeyRZIIEFYXOKVHPK-UHFFFAOYSA-N
XLogP1.02
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-methylbenzotriazol-5-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

2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1-methylbenzotriazol-5-yl)acetamide
CID 136549427
N-(4-acetamidophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 7181137
N-(3-bromophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2708881
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 2436338
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 3666642
N-(3-cyanophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2708886
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691431
1-amino-3-(1-methylbenzotriazol-5-yl)urea
CID 126153811
1-(furan-2-ylmethyl)-3-(1-methylbenzotriazol-5-yl)urea
CID 893567
N-(4-bromophenyl)-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
CID 7241991
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 2487182
N-(2-chloro-3-pyridinyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 7181002

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-methylbenzotriazol-5-yl)acetamide?
The IUPAC name of 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-methylbenzotriazol-5-yl)acetamide (CID 136549426) is 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-methylbenzotriazol-5-yl)acetamide.
What is the SMILES notation for 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-methylbenzotriazol-5-yl)acetamide?
The canonical SMILES for 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-methylbenzotriazol-5-yl)acetamide is CCC1(CC)NC(=O)N(CC(=O)Nc2ccc3c(c2)nnn3C)C1=O.
What is the InChIKey of 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-methylbenzotriazol-5-yl)acetamide?
The InChIKey is RZIIEFYXOKVHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O3/c1-4-16(5-2)14(24)22(15(25)18-16)9-13(23)17-10-6-7-12-11(8-10)19-20-21(12)3/h6-8H,4-5,9H2,1-3H3,(H,17,23)(H,18,25).
What are the key properties of 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-methylbenzotriazol-5-yl)acetamide?
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-methylbenzotriazol-5-yl)acetamide has a molecular weight of 344.38 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-methylbenzotriazol-5-yl)acetamide is sourced from PubChem (CID 136549426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).