2-[cyclopropyl(ethylcarbamoyl)amino]-N-[(3,4-dichlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

C25H28Cl2N4O2 — CID 42771070

About 2-[cyclopropyl(ethylcarbamoyl)amino]-N-[(3,4-dichlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

2-[cyclopropyl(ethylcarbamoyl)amino]-N-[(3,4-dichlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 42771070) has the molecular formula C25H28Cl2N4O2 and a molecular weight of 487.43 g/mol. Its IUPAC name is 2-[cyclopropyl(ethylcarbamoyl)amino]-N-[(3,4-dichlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[cyclopropyl(ethylcarbamoyl)amino]-N-[(3,4-dichlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
• PubChem CID: 42771070
• Molecular Formula: C25H28Cl2N4O2
• Molecular Weight: 487.43 g/mol
• Exact Mass: 486.16
• IUPAC Name: 2-[cyclopropyl(ethylcarbamoyl)amino]-N-[(3,4-dichlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
• SMILES: CCNC(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)C1CC1
• InChI: InChI=1S/C25H28Cl2N4O2/c1-2-28-25(33)31(19-8-9-19)16-24(32)30(15-17-7-10-21(26)22(27)13-17)12-11-18-14-29-23-6-4-3-5-20(18)23/h3-7,10,13-14,19,29H,2,8-9,11-12,15-16H2,1H3,(H,28,33)
• InChIKey: HCMRIDBDYNJGRH-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 68.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.43
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethylcarbamoyl)amino]-N-[(3,4-dichlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?

The IUPAC name of 2-[cyclopropyl(ethylcarbamoyl)amino]-N-[(3,4-dichlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 42771070) is 2-[cyclopropyl(ethylcarbamoyl)amino]-N-[(3,4-dichlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide.

What is the SMILES notation for 2-[cyclopropyl(ethylcarbamoyl)amino]-N-[(3,4-dichlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?

The canonical SMILES for 2-[cyclopropyl(ethylcarbamoyl)amino]-N-[(3,4-dichlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide is CCNC(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)C1CC1.

What is the InChIKey of 2-[cyclopropyl(ethylcarbamoyl)amino]-N-[(3,4-dichlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?

The InChIKey is HCMRIDBDYNJGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28Cl2N4O2/c1-2-28-25(33)31(19-8-9-19)16-24(32)30(15-17-7-10-21(26)22(27)13-17)12-11-18-14-29-23-6-4-3-5-20(18)23/h3-7,10,13-14,19,29H,2,8-9,11-12,15-16H2,1H3,(H,28,33).

What are the key properties of 2-[cyclopropyl(ethylcarbamoyl)amino]-N-[(3,4-dichlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?

2-[cyclopropyl(ethylcarbamoyl)amino]-N-[(3,4-dichlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 487.43 g/mol, XLogP of 5.24, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[cyclopropyl(ethylcarbamoyl)amino]-N-[(3,4-dichlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 42771070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).