2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide

C24H30N2O3 — CID 109138011

About 2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide

2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109138011) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

• Compound Name: 2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
• PubChem CID: 109138011
• Molecular Formula: C24H30N2O3
• Molecular Weight: 394.52 g/mol
• Exact Mass: 394.23
• IUPAC Name: 2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
• SMILES: COc1ccc(CCNC(=O)C2CC2C(=O)Nc2c(C)cccc2C(C)C)cc1
• InChI: InChI=1S/C24H30N2O3/c1-15(2)19-7-5-6-16(3)22(19)26-24(28)21-14-20(21)23(27)25-13-12-17-8-10-18(29-4)11-9-17/h5-11,15,20-21H,12-14H2,1-4H3,(H,25,27)(H,26,28)
• InChIKey: XQDOVVVDKCNJEE-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 67.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.52
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide?

The IUPAC name of 2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide (CID 109138011) is 2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide.

What is the SMILES notation for 2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide?

The canonical SMILES for 2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide is COc1ccc(CCNC(=O)C2CC2C(=O)Nc2c(C)cccc2C(C)C)cc1.

What is the InChIKey of 2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide?

The InChIKey is XQDOVVVDKCNJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-15(2)19-7-5-6-16(3)22(19)26-24(28)21-14-20(21)23(27)25-13-12-17-8-10-18(29-4)11-9-17/h5-11,15,20-21H,12-14H2,1-4H3,(H,25,27)(H,26,28).

What are the key properties of 2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide?

2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 394.52 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109138011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).