2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide

C16H19N7O3 — CID 4847095

IUPAC2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCCC1(CC)NC(=O)N(CC(=O)Nc2ccc(-n3cnnn3)cc2)C1=O
InChIInChI=1S/C16H19N7O3/c1-3-16(4-2)14(25)22(15(26)19-16)9-13(24)18-11-5-7-12(8-6-11)23-10-17-20-21-23/h5-8,10H,3-4,9H2,1-2H3,(H,18,24)(H,19,26)
InChIKeyOGHOETLSYBYLTM-UHFFFAOYSA-N
MW357.37 g/mol
LogP0.71
Rot. Bonds6

About 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide

2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 4847095) has the molecular formula C16H19N7O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID4847095
Molecular FormulaC16H19N7O3
Molecular Weight357.37 g/mol
Exact Mass357.15
IUPAC Name2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCCC1(CC)NC(=O)N(CC(=O)Nc2ccc(-n3cnnn3)cc2)C1=O
InChIInChI=1S/C16H19N7O3/c1-3-16(4-2)14(25)22(15(26)19-16)9-13(24)18-11-5-7-12(8-6-11)23-10-17-20-21-23/h5-8,10H,3-4,9H2,1-2H3,(H,18,24)(H,19,26)
InChIKeyOGHOETLSYBYLTM-UHFFFAOYSA-N
XLogP0.71
TPSA122.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 4846985
1-N-cyclohexyl-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 654097
Pyrrolidine-1,2-dicarboxylic acid 2-[(3-methyl-4-tetrazol-1-yl-phenyl)-amide] 1-p-tolylamide
CID 3219768
1-N-(4-propan-2-ylphenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 3230219
1-Phenyl-8-(1-phenyl-1H-tetrazol-5-yl)-1,3,8-triaza-spiro[4.5]decan-4-one
CID 648582
2-(4-Phenyl-piperazin-1-yl)-N-(4-tetrazol-1-yl-phenyl)-acetamide
CID 655936
Pyrrolidine-1,2-dicarboxylic acid 1-[(3,5-dimethyl-phenyl)-amide] 2-[(3-methyl-4-tetrazol-1-yl-phenyl)-amide]
CID 3230213
Pyrrolidine-1,2-dicarboxylic acid 1-[(3,5-dimethyl-phenyl)-amide] 2-[(4-tetrazol-1-yl-phenyl)-amide]
CID 3230214
Pyrrolidine-1,2-dicarboxylic acid 1-[(2,6-dimethyl-phenyl)-amide] 2-[(3-methyl-4-tetrazol-1-yl-phenyl)-amide]
CID 3230348
5-methyl-5-[3-(1H-1,2,3,4-tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 16226788
2-(4-benzylpiperazin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 1439261
1-N-(2,6-dimethylphenyl)-2-N-[4-(tetrazol-1-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 3230349

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide (CID 4847095) is 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide is CCC1(CC)NC(=O)N(CC(=O)Nc2ccc(-n3cnnn3)cc2)C1=O.
What is the InChIKey of 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is OGHOETLSYBYLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O3/c1-3-16(4-2)14(25)22(15(26)19-16)9-13(24)18-11-5-7-12(8-6-11)23-10-17-20-21-23/h5-8,10H,3-4,9H2,1-2H3,(H,18,24)(H,19,26).
What are the key properties of 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 357.37 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 4847095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).