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

C17H24N2O3 — CID 109139937

IUPAC1-N-(4-methoxyphenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide
SMILESCOc1ccc(NC(=O)C2CC2C(=O)NCCC(C)C)cc1
InChIInChI=1S/C17H24N2O3/c1-11(2)8-9-18-16(20)14-10-15(14)17(21)19-12-4-6-13(22-3)7-5-12/h4-7,11,14-15H,8-10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyWVXVCEIWYUWDSM-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.43
Rot. Bonds7

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

1-N-(4-methoxyphenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109139937) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-N-(4-methoxyphenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-methoxyphenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide
PubChem CID109139937
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-N-(4-methoxyphenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide
SMILESCOc1ccc(NC(=O)C2CC2C(=O)NCCC(C)C)cc1
InChIInChI=1S/C17H24N2O3/c1-11(2)8-9-18-16(20)14-10-15(14)17(21)19-12-4-6-13(22-3)7-5-12/h4-7,11,14-15H,8-10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyWVXVCEIWYUWDSM-UHFFFAOYSA-N
XLogP2.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(4-acetamidophenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide
CID 109139952
1-(4-methoxyphenyl)-3-(3-methylbutyl)urea
CID 18884814
2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109137993
2-[(4-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270389
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109132849
trans-(1R,2R)-2-[[(3R)-3-(4-methoxyphenyl)butyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125132736
1-acetyl-4-(4-methoxyphenyl)-N-(3-methylbutyl)pyrrolidine-3-carboxamide
CID 42680263
2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide
CID 109131447
2-N-[(4-methoxyphenyl)methyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109136562
4-(4-methoxyphenyl)-N-(3-methylbutyl)-1-propanoylpyrrolidine-3-carboxamide
CID 42825886
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide
CID 109138571
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-methoxyphenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-methoxyphenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide (CID 109139937) is 1-N-(4-methoxyphenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-methoxyphenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-methoxyphenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide is COc1ccc(NC(=O)C2CC2C(=O)NCCC(C)C)cc1.
What is the InChIKey of 1-N-(4-methoxyphenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is WVXVCEIWYUWDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-11(2)8-9-18-16(20)14-10-15(14)17(21)19-12-4-6-13(22-3)7-5-12/h4-7,11,14-15H,8-10H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 1-N-(4-methoxyphenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide?
1-N-(4-methoxyphenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-methoxyphenyl)-2-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109139937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).