1-N-(3-acetamidophenyl)-1-N'-benzyl-1-N'-ethylcyclopropane-1,1-dicarboxamide

C22H25N3O3 — CID 108976586

IUPAC1-N-(3-acetamidophenyl)-1-N'-benzyl-1-N'-ethylcyclopropane-1,1-dicarboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1(C(=O)Nc2cccc(NC(C)=O)c2)CC1
InChIInChI=1S/C22H25N3O3/c1-3-25(15-17-8-5-4-6-9-17)21(28)22(12-13-22)20(27)24-19-11-7-10-18(14-19)23-16(2)26/h4-11,14H,3,12-13,15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyNAEAPUNUWFFODT-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.41
Rot. Bonds7

About 1-N-(3-acetamidophenyl)-1-N'-benzyl-1-N'-ethylcyclopropane-1,1-dicarboxamide

1-N-(3-acetamidophenyl)-1-N'-benzyl-1-N'-ethylcyclopropane-1,1-dicarboxamide (PubChem CID 108976586) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-N-(3-acetamidophenyl)-1-N'-benzyl-1-N'-ethylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-acetamidophenyl)-1-N'-benzyl-1-N'-ethylcyclopropane-1,1-dicarboxamide
PubChem CID108976586
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name1-N-(3-acetamidophenyl)-1-N'-benzyl-1-N'-ethylcyclopropane-1,1-dicarboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1(C(=O)Nc2cccc(NC(C)=O)c2)CC1
InChIInChI=1S/C22H25N3O3/c1-3-25(15-17-8-5-4-6-9-17)21(28)22(12-13-22)20(27)24-19-11-7-10-18(14-19)23-16(2)26/h4-11,14H,3,12-13,15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyNAEAPUNUWFFODT-UHFFFAOYSA-N
XLogP3.41
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N'-benzyl-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N'-ethylcyclopropane-1,1-dicarboxamide
CID 108976596
1-N'-benzyl-1-N-(3-chloro-4-fluorophenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide
CID 108976566
1-N'-benzyl-1-N-(4-ethoxyphenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide
CID 108976574
1-N'-benzyl-1-N'-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,1-dicarboxamide
CID 108976615
1-N'-benzyl-1-N-(2,5-dimethylphenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide
CID 108976541
1-N'-(3-acetamidophenyl)-1-N-(3-acetylphenyl)cyclopropane-1,1-dicarboxamide
CID 108983396
1-N-(3-fluorophenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide
CID 108980311
1-N-benzyl-1-N',1-N'-diethyl-1-N-methylcyclopropane-1,1-dicarboxamide
CID 108975527
1-N-(3-acetamidophenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108975451
1-N'-(3-acetamidophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979810
N-benzyl-N-ethyl-1-phenylcyclopropane-1-carboxamide
CID 113198157
1-N'-(3-acetamidophenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983475

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-acetamidophenyl)-1-N'-benzyl-1-N'-ethylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(3-acetamidophenyl)-1-N'-benzyl-1-N'-ethylcyclopropane-1,1-dicarboxamide (CID 108976586) is 1-N-(3-acetamidophenyl)-1-N'-benzyl-1-N'-ethylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(3-acetamidophenyl)-1-N'-benzyl-1-N'-ethylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(3-acetamidophenyl)-1-N'-benzyl-1-N'-ethylcyclopropane-1,1-dicarboxamide is CCN(Cc1ccccc1)C(=O)C1(C(=O)Nc2cccc(NC(C)=O)c2)CC1.
What is the InChIKey of 1-N-(3-acetamidophenyl)-1-N'-benzyl-1-N'-ethylcyclopropane-1,1-dicarboxamide?
The InChIKey is NAEAPUNUWFFODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-3-25(15-17-8-5-4-6-9-17)21(28)22(12-13-22)20(27)24-19-11-7-10-18(14-19)23-16(2)26/h4-11,14H,3,12-13,15H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 1-N-(3-acetamidophenyl)-1-N'-benzyl-1-N'-ethylcyclopropane-1,1-dicarboxamide?
1-N-(3-acetamidophenyl)-1-N'-benzyl-1-N'-ethylcyclopropane-1,1-dicarboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-acetamidophenyl)-1-N'-benzyl-1-N'-ethylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108976586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).