2-N-butyl-1-N-[(4-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide

C17H24N2O3 — CID 109131241

IUPAC2-N-butyl-1-N-[(4-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
SMILESCCCCNC(=O)C1CC1C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C17H24N2O3/c1-3-4-9-18-16(20)14-10-15(14)17(21)19-11-12-5-7-13(22-2)8-6-12/h5-8,14-15H,3-4,9-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyZIEMNNRKBWGELI-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.86
Rot. Bonds8

About 2-N-butyl-1-N-[(4-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide

2-N-butyl-1-N-[(4-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109131241) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-N-butyl-1-N-[(4-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-butyl-1-N-[(4-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
PubChem CID109131241
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-N-butyl-1-N-[(4-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
SMILESCCCCNC(=O)C1CC1C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C17H24N2O3/c1-3-4-9-18-16(20)14-10-15(14)17(21)19-11-12-5-7-13(22-2)8-6-12/h5-8,14-15H,3-4,9-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyZIEMNNRKBWGELI-UHFFFAOYSA-N
XLogP1.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,2R)-N-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 7772441
1-N-benzyl-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109135020
2-N-[(4-methoxyphenyl)methyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109136562
2-N-butyl-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109131252
1-N-(2-ethylphenyl)-2-N-[(4-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136575
1-N-[(3,4-dimethoxyphenyl)methyl]-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130474
2-N-[(4-methoxyphenyl)methyl]-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109136641
N-butyl-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109012203
1-(3-butoxypropyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868142
(1R,6R)-6-[(4-methoxyphenyl)methylcarbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylate
CID 6938180
N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969
2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide
CID 109131447

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-1-N-[(4-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-butyl-1-N-[(4-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide (CID 109131241) is 2-N-butyl-1-N-[(4-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-butyl-1-N-[(4-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-butyl-1-N-[(4-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide is CCCCNC(=O)C1CC1C(=O)NCc1ccc(OC)cc1.
What is the InChIKey of 2-N-butyl-1-N-[(4-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is ZIEMNNRKBWGELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-4-9-18-16(20)14-10-15(14)17(21)19-11-12-5-7-13(22-2)8-6-12/h5-8,14-15H,3-4,9-11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 2-N-butyl-1-N-[(4-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide?
2-N-butyl-1-N-[(4-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-1-N-[(4-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109131241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).