1-N',1-N'-diethyl-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide

C17H24N2O3 — CID 108976182

IUPAC1-N',1-N'-diethyl-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide
SMILESCCN(CC)C(=O)C1(C(=O)NCc2ccccc2OC)CC1
InChIInChI=1S/C17H24N2O3/c1-4-19(5-2)16(21)17(10-11-17)15(20)18-12-13-8-6-7-9-14(13)22-3/h6-9H,4-5,10-12H2,1-3H3,(H,18,20)
InChIKeyICFKWDWJQKEIER-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.96
Rot. Bonds7

About 1-N',1-N'-diethyl-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide

1-N',1-N'-diethyl-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide (PubChem CID 108976182) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-N',1-N'-diethyl-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N',1-N'-diethyl-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide
PubChem CID108976182
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-N',1-N'-diethyl-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide
SMILESCCN(CC)C(=O)C1(C(=O)NCc2ccccc2OC)CC1
InChIInChI=1S/C17H24N2O3/c1-4-19(5-2)16(21)17(10-11-17)15(20)18-12-13-8-6-7-9-14(13)22-3/h6-9H,4-5,10-12H2,1-3H3,(H,18,20)
InChIKeyICFKWDWJQKEIER-UHFFFAOYSA-N
XLogP1.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N'-(1,1-dioxothiolan-3-yl)-1-N'-ethyl-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976178
1-N-[(2-methoxyphenyl)methyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108976196
1-N-[(2-methoxyphenyl)methyl]-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108976215
1-N-[2-(2-methoxyphenyl)ethyl]-1-N'-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974919
1-N'-(2,4-dimethoxyphenyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976242
1-N',1-N'-diethyl-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977349
1-ethyl-3-[(2-methoxyphenyl)methyl]urea
CID 38151032
N-[(2-methoxyphenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 4644139
1-N-[(2-methoxyphenyl)methyl]-1-N'-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108976256
1-(2,3-dihydroindole-1-carbonyl)-N-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 108976201
1-(cyclopentylidenemethyl)-3-[(2-methoxyphenyl)methyl]urea
CID 108913694
1-carbamothioyl-N-[(2-methoxyphenyl)methyl]-3-methylcyclobutane-1-carboxamide
CID 80592963

Frequently Asked Questions

What is the IUPAC name of 1-N',1-N'-diethyl-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N',1-N'-diethyl-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide (CID 108976182) is 1-N',1-N'-diethyl-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N',1-N'-diethyl-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N',1-N'-diethyl-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide is CCN(CC)C(=O)C1(C(=O)NCc2ccccc2OC)CC1.
What is the InChIKey of 1-N',1-N'-diethyl-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is ICFKWDWJQKEIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-4-19(5-2)16(21)17(10-11-17)15(20)18-12-13-8-6-7-9-14(13)22-3/h6-9H,4-5,10-12H2,1-3H3,(H,18,20).
What are the key properties of 1-N',1-N'-diethyl-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide?
1-N',1-N'-diethyl-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',1-N'-diethyl-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108976182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).