1-N'-[(3,4-dimethoxyphenyl)methyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide

C19H28N2O4 — CID 108978428

IUPAC1-N'-[(3,4-dimethoxyphenyl)methyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(CNC(=O)C2(C(=O)NCCC(C)C)CC2)cc1OC
InChIInChI=1S/C19H28N2O4/c1-13(2)7-10-20-17(22)19(8-9-19)18(23)21-12-14-5-6-15(24-3)16(11-14)25-4/h5-6,11,13H,7-10,12H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyVEDBUFAETVYOOT-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.26
Rot. Bonds9

About 1-N'-[(3,4-dimethoxyphenyl)methyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide

1-N'-[(3,4-dimethoxyphenyl)methyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108978428) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 1-N'-[(3,4-dimethoxyphenyl)methyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-[(3,4-dimethoxyphenyl)methyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
PubChem CID108978428
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name1-N'-[(3,4-dimethoxyphenyl)methyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(CNC(=O)C2(C(=O)NCCC(C)C)CC2)cc1OC
InChIInChI=1S/C19H28N2O4/c1-13(2)7-10-20-17(22)19(8-9-19)18(23)21-12-14-5-6-15(24-3)16(11-14)25-4/h5-6,11,13H,7-10,12H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyVEDBUFAETVYOOT-UHFFFAOYSA-N
XLogP2.26
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(3,4-dimethoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62097486
1-[(3,4-dimethoxyphenyl)methyl]-3-(4-methylpentyl)urea
CID 38221992
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide
CID 109138571
1-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62096402
1-N-[(3,4-dimethoxyphenyl)methyl]-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108978448
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974929
1-N-[(3,4-dimethoxyphenyl)methyl]-1-N'-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108978469
1-N'-(2,4-difluorophenyl)-1-N-[(3,4-dimethoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108978471
1-N'-butyl-1-N-[(3,4-dimethoxyphenyl)methyl]-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108978430
1-amino-N-[(3,4-dimethoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119263568
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(3-methylbutyl)benzene-1,4-dicarboxamide
CID 109048227
1-carbamothioyl-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 80593163

Frequently Asked Questions

What is the IUPAC name of 1-N'-[(3,4-dimethoxyphenyl)methyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-[(3,4-dimethoxyphenyl)methyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide (CID 108978428) is 1-N'-[(3,4-dimethoxyphenyl)methyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-[(3,4-dimethoxyphenyl)methyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-[(3,4-dimethoxyphenyl)methyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide is COc1ccc(CNC(=O)C2(C(=O)NCCC(C)C)CC2)cc1OC.
What is the InChIKey of 1-N'-[(3,4-dimethoxyphenyl)methyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is VEDBUFAETVYOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-13(2)7-10-20-17(22)19(8-9-19)18(23)21-12-14-5-6-15(24-3)16(11-14)25-4/h5-6,11,13H,7-10,12H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of 1-N'-[(3,4-dimethoxyphenyl)methyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide?
1-N'-[(3,4-dimethoxyphenyl)methyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 348.44 g/mol, XLogP of 2.26, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[(3,4-dimethoxyphenyl)methyl]-1-N-(3-methylbutyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108978428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).