1-N'-(3-acetamidophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide

C18H25N3O3 — CID 108979810

IUPAC1-N'-(3-acetamidophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
SMILESCCCCCNC(=O)C1(C(=O)Nc2cccc(NC(C)=O)c2)CC1
InChIInChI=1S/C18H25N3O3/c1-3-4-5-11-19-16(23)18(9-10-18)17(24)21-15-8-6-7-14(12-15)20-13(2)22/h6-8,12H,3-5,9-11H2,1-2H3,(H,19,23)(H,20,22)(H,21,24)
InChIKeyHFOHLVBABJISNZ-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.67
Rot. Bonds8

About 1-N'-(3-acetamidophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide

1-N'-(3-acetamidophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide (PubChem CID 108979810) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-N'-(3-acetamidophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(3-acetamidophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
PubChem CID108979810
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-N'-(3-acetamidophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
SMILESCCCCCNC(=O)C1(C(=O)Nc2cccc(NC(C)=O)c2)CC1
InChIInChI=1S/C18H25N3O3/c1-3-4-5-11-19-16(23)18(9-10-18)17(24)21-15-8-6-7-14(12-15)20-13(2)22/h6-8,12H,3-5,9-11H2,1-2H3,(H,19,23)(H,20,22)(H,21,24)
InChIKeyHFOHLVBABJISNZ-UHFFFAOYSA-N
XLogP2.67
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N'-(3-fluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979827
1-N'-(3-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979795
1-N-butyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108971062
methyl 3-[[1-(butylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 108971120
1-N'-(2,6-difluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979858
1-N'-(4-chlorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979783
1-N'-(3-acetamidophenyl)-1-N-(3-acetylphenyl)cyclopropane-1,1-dicarboxamide
CID 108983396
4-N-(3-acetamidophenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149868
1-N'-(3-chloro-2-methylphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979784
1-N'-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979823
1-N'-(3-acetamidophenyl)-1-N-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983475
1-N'-(2-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979794

Frequently Asked Questions

What is the IUPAC name of 1-N'-(3-acetamidophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(3-acetamidophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide (CID 108979810) is 1-N'-(3-acetamidophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(3-acetamidophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(3-acetamidophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide is CCCCCNC(=O)C1(C(=O)Nc2cccc(NC(C)=O)c2)CC1.
What is the InChIKey of 1-N'-(3-acetamidophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide?
The InChIKey is HFOHLVBABJISNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-3-4-5-11-19-16(23)18(9-10-18)17(24)21-15-8-6-7-14(12-15)20-13(2)22/h6-8,12H,3-5,9-11H2,1-2H3,(H,19,23)(H,20,22)(H,21,24).
What are the key properties of 1-N'-(3-acetamidophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide?
1-N'-(3-acetamidophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.67, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(3-acetamidophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108979810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).