1-N-(4-acetamidophenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide

C18H25N3O3 — CID 109139952

IUPAC1-N-(4-acetamidophenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CC2C(=O)NCCC(C)C)cc1
InChIInChI=1S/C18H25N3O3/c1-11(2)8-9-19-17(23)15-10-16(15)18(24)21-14-6-4-13(5-7-14)20-12(3)22/h4-7,11,15-16H,8-10H2,1-3H3,(H,19,23)(H,20,22)(H,21,24)
InChIKeyBEKMYPMPEONIMC-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.38
Rot. Bonds7

About 1-N-(4-acetamidophenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide

1-N-(4-acetamidophenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109139952) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-N-(4-acetamidophenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-acetamidophenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide
PubChem CID109139952
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-N-(4-acetamidophenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CC2C(=O)NCCC(C)C)cc1
InChIInChI=1S/C18H25N3O3/c1-11(2)8-9-19-17(23)15-10-16(15)18(24)21-14-6-4-13(5-7-14)20-12(3)22/h4-7,11,15-16H,8-10H2,1-3H3,(H,19,23)(H,20,22)(H,21,24)
InChIKeyBEKMYPMPEONIMC-UHFFFAOYSA-N
XLogP2.38
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(4-methoxyphenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide
CID 109139937
1-N-(4-acetamidophenyl)-2-N-(4-acetylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143793
1-N-(2-bromo-4-methylphenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide
CID 109139971
N-(4-acetamidophenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
CID 108966311
2-N-(4-acetamidophenyl)-1-N,1-N-diethylcyclopropane-1,2-dicarboxamide
CID 109139358
2-N-butyl-1-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109131322
1-N-(4-ethylphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109140027
2-N-[2-(dimethylamino)ethyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109133706
1-N-(4-acetamidophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136494
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide
CID 109138571
2-N-[2-(3-chlorophenyl)ethyl]-1-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide
CID 109139892
4-N-(4-ethoxyphenyl)-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
CID 109149768

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-acetamidophenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-acetamidophenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide (CID 109139952) is 1-N-(4-acetamidophenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-acetamidophenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-acetamidophenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide is CC(=O)Nc1ccc(NC(=O)C2CC2C(=O)NCCC(C)C)cc1.
What is the InChIKey of 1-N-(4-acetamidophenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is BEKMYPMPEONIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-11(2)8-9-19-17(23)15-10-16(15)18(24)21-14-6-4-13(5-7-14)20-12(3)22/h4-7,11,15-16H,8-10H2,1-3H3,(H,19,23)(H,20,22)(H,21,24).
What are the key properties of 1-N-(4-acetamidophenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide?
1-N-(4-acetamidophenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.38, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-acetamidophenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109139952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).