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

C26H29Cl2N3O2 — CID 42771067

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

N-cyclopropyl-N-[2-[(3,4-dichlorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-methylpropanamide (PubChem CID 42771067) has the molecular formula C26H29Cl2N3O2 and a molecular weight of 486.44 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[(3,4-dichlorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[2-[(3,4-dichlorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-methylpropanamide
• PubChem CID: 42771067
• Molecular Formula: C26H29Cl2N3O2
• Molecular Weight: 486.44 g/mol
• Exact Mass: 485.16
• IUPAC Name: N-cyclopropyl-N-[2-[(3,4-dichlorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-methylpropanamide
• SMILES: CC(C)C(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)C1CC1
• InChI: InChI=1S/C26H29Cl2N3O2/c1-17(2)26(33)31(20-8-9-20)16-25(32)30(15-18-7-10-22(27)23(28)13-18)12-11-19-14-29-24-6-4-3-5-21(19)24/h3-7,10,13-14,17,20,29H,8-9,11-12,15-16H2,1-2H3
• InChIKey: URTHBIXEMYJWDA-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 56.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.44
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of N-cyclopropyl-N-[2-[(3,4-dichlorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-methylpropanamide (CID 42771067) is N-cyclopropyl-N-[2-[(3,4-dichlorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-methylpropanamide.

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

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

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

The InChIKey is URTHBIXEMYJWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29Cl2N3O2/c1-17(2)26(33)31(20-8-9-20)16-25(32)30(15-18-7-10-22(27)23(28)13-18)12-11-19-14-29-24-6-4-3-5-21(19)24/h3-7,10,13-14,17,20,29H,8-9,11-12,15-16H2,1-2H3.

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

N-cyclopropyl-N-[2-[(3,4-dichlorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-methylpropanamide has a molecular weight of 486.44 g/mol, XLogP of 5.69, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-N-[2-[(3,4-dichlorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-methylpropanamide is sourced from PubChem (CID 42771067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).