1-N'-(4-acetamidophenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide

C17H23N3O3 — CID 108971312

IUPAC1-N'-(4-acetamidophenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2(C(=O)NCC(C)C)CC2)cc1
InChIInChI=1S/C17H23N3O3/c1-11(2)10-18-15(22)17(8-9-17)16(23)20-14-6-4-13(5-7-14)19-12(3)21/h4-7,11H,8-10H2,1-3H3,(H,18,22)(H,19,21)(H,20,23)
InChIKeyNCARNEUYUZEOBR-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.14
Rot. Bonds6

About 1-N'-(4-acetamidophenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide

1-N'-(4-acetamidophenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108971312) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-N'-(4-acetamidophenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(4-acetamidophenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
PubChem CID108971312
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-N'-(4-acetamidophenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2(C(=O)NCC(C)C)CC2)cc1
InChIInChI=1S/C17H23N3O3/c1-11(2)10-18-15(22)17(8-9-17)16(23)20-14-6-4-13(5-7-14)19-12(3)21/h4-7,11H,8-10H2,1-3H3,(H,18,22)(H,19,21)(H,20,23)
InChIKeyNCARNEUYUZEOBR-UHFFFAOYSA-N
XLogP2.14
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.14
H-Bond Donors ≤ 53
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'-(4-ethylphenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971270
1-N-(2-methylpropyl)-1-N'-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108971320
ethyl 4-[[1-(2-methylpropylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 108971338
1-N'-(4-ethylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108979652
1-N'-(2-bromophenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971329
1-N'-(2,4-dimethylphenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide
CID 108971263
1-N'-[4-(dimethylamino)phenyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108979700
1-(2-methylpropylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095026
1-N'-(2-methylpropyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970779
1-N-(2-methylpropyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108971193
1-N'-(3,4-dimethylphenyl)-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108979647
1-N-(4-acetamidophenyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983238

Frequently Asked Questions

What is the IUPAC name of 1-N'-(4-acetamidophenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(4-acetamidophenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide (CID 108971312) is 1-N'-(4-acetamidophenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(4-acetamidophenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(4-acetamidophenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide is CC(=O)Nc1ccc(NC(=O)C2(C(=O)NCC(C)C)CC2)cc1.
What is the InChIKey of 1-N'-(4-acetamidophenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is NCARNEUYUZEOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11(2)10-18-15(22)17(8-9-17)16(23)20-14-6-4-13(5-7-14)19-12(3)21/h4-7,11H,8-10H2,1-3H3,(H,18,22)(H,19,21)(H,20,23).
What are the key properties of 1-N'-(4-acetamidophenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide?
1-N'-(4-acetamidophenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 317.39 g/mol, XLogP of 2.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(4-acetamidophenyl)-1-N-(2-methylpropyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108971312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).