1-N'-(2,3-dimethylphenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide

C22H26N2O3 — CID 108977756

IUPAC1-N'-(2,3-dimethylphenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(CCNC(=O)C2(C(=O)Nc3cccc(C)c3C)CC2)cc1
InChIInChI=1S/C22H26N2O3/c1-15-5-4-6-19(16(15)2)24-21(26)22(12-13-22)20(25)23-14-11-17-7-9-18(27-3)10-8-17/h4-10H,11-14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyKQOFFDUANHURGQ-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.39
Rot. Bonds7

About 1-N'-(2,3-dimethylphenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide

1-N'-(2,3-dimethylphenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide (PubChem CID 108977756) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-N'-(2,3-dimethylphenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2,3-dimethylphenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
PubChem CID108977756
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-N'-(2,3-dimethylphenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(CCNC(=O)C2(C(=O)Nc3cccc(C)c3C)CC2)cc1
InChIInChI=1S/C22H26N2O3/c1-15-5-4-6-19(16(15)2)24-21(26)22(12-13-22)20(25)23-14-11-17-7-9-18(27-3)10-8-17/h4-10H,11-14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyKQOFFDUANHURGQ-UHFFFAOYSA-N
XLogP3.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.39
H-Bond Donors ≤ 52
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-N'-bis[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977727
1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108977765
1-N-[2-(4-methoxyphenyl)ethyl]-1-N'-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108977761
1-N'-(3-methoxyphenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977779
1-N'-(2,6-dimethylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977671
1-N'-(2,5-dimethoxyphenyl)-1-N-(2,3-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981643
1-N'-(2,3-dimethylphenyl)-1-N-[(4-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975263
1-N'-(2-methoxyphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977694
1-N'-(2-fluorophenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977684
1-N'-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980646
1-N'-(3-methoxyphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977160
1-N'-(3,4-dimethylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977669

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2,3-dimethylphenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(2,3-dimethylphenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide (CID 108977756) is 1-N'-(2,3-dimethylphenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(2,3-dimethylphenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(2,3-dimethylphenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide is COc1ccc(CCNC(=O)C2(C(=O)Nc3cccc(C)c3C)CC2)cc1.
What is the InChIKey of 1-N'-(2,3-dimethylphenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is KQOFFDUANHURGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15-5-4-6-19(16(15)2)24-21(26)22(12-13-22)20(25)23-14-11-17-7-9-18(27-3)10-8-17/h4-10H,11-14H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 1-N'-(2,3-dimethylphenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide?
1-N'-(2,3-dimethylphenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 366.46 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2,3-dimethylphenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108977756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).