2-N-(4-acetamidophenyl)-1-N,1-N-diethylcyclopropane-1,2-dicarboxamide

C17H23N3O3 — CID 109139358

IUPAC2-N-(4-acetamidophenyl)-1-N,1-N-diethylcyclopropane-1,2-dicarboxamide
SMILESCCN(CC)C(=O)C1CC1C(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H23N3O3/c1-4-20(5-2)17(23)15-10-14(15)16(22)19-13-8-6-12(7-9-13)18-11(3)21/h6-9,14-15H,4-5,10H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyPFQGZHGQUCZERD-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.09
Rot. Bonds6

About 2-N-(4-acetamidophenyl)-1-N,1-N-diethylcyclopropane-1,2-dicarboxamide

2-N-(4-acetamidophenyl)-1-N,1-N-diethylcyclopropane-1,2-dicarboxamide (PubChem CID 109139358) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-N-(4-acetamidophenyl)-1-N,1-N-diethylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-acetamidophenyl)-1-N,1-N-diethylcyclopropane-1,2-dicarboxamide
PubChem CID109139358
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-N-(4-acetamidophenyl)-1-N,1-N-diethylcyclopropane-1,2-dicarboxamide
SMILESCCN(CC)C(=O)C1CC1C(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H23N3O3/c1-4-20(5-2)17(23)15-10-14(15)16(22)19-13-8-6-12(7-9-13)18-11(3)21/h6-9,14-15H,4-5,10H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyPFQGZHGQUCZERD-UHFFFAOYSA-N
XLogP2.09
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,1-N-diethyl-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109139348
2-N-(4-bromo-3-methylphenyl)-1-N,1-N-diethylcyclopropane-1,2-dicarboxamide
CID 109139379
1-N,1-N-diethyl-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139304
1-N-(4-acetamidophenyl)-2-N-(4-acetylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143793
methyl 3-[[2-(diethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 109139360
1-N,1-N-diethyl-2-N-(2-ethyl-6-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139318
1-N,1-N-diethyl-2-N-(2-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109139341
1-N-[4-(diethylamino)phenyl]-2-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142108
1-N-(4-acetamidophenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide
CID 109139952
1-N,2-N-bis[4-(dimethylamino)phenyl]cyclopropane-1,2-dicarboxamide
CID 109143918
1-N-(4-acetylphenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149468
1-N,1-N-diethyl-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130489

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-acetamidophenyl)-1-N,1-N-diethylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-(4-acetamidophenyl)-1-N,1-N-diethylcyclopropane-1,2-dicarboxamide (CID 109139358) is 2-N-(4-acetamidophenyl)-1-N,1-N-diethylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(4-acetamidophenyl)-1-N,1-N-diethylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(4-acetamidophenyl)-1-N,1-N-diethylcyclopropane-1,2-dicarboxamide is CCN(CC)C(=O)C1CC1C(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of 2-N-(4-acetamidophenyl)-1-N,1-N-diethylcyclopropane-1,2-dicarboxamide?
The InChIKey is PFQGZHGQUCZERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-4-20(5-2)17(23)15-10-14(15)16(22)19-13-8-6-12(7-9-13)18-11(3)21/h6-9,14-15H,4-5,10H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of 2-N-(4-acetamidophenyl)-1-N,1-N-diethylcyclopropane-1,2-dicarboxamide?
2-N-(4-acetamidophenyl)-1-N,1-N-diethylcyclopropane-1,2-dicarboxamide has a molecular weight of 317.39 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-acetamidophenyl)-1-N,1-N-diethylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109139358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).