N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]-2,2-diphenylacetamide

C37H37N3O3 — CID 24717900

About N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]-2,2-diphenylacetamide

N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]-2,2-diphenylacetamide (PubChem CID 24717900) has the molecular formula C37H37N3O3 and a molecular weight of 571.72 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]-2,2-diphenylacetamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]-2,2-diphenylacetamide
• PubChem CID: 24717900
• Molecular Formula: C37H37N3O3
• Molecular Weight: 571.72 g/mol
• Exact Mass: 571.28
• IUPAC Name: N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]-2,2-diphenylacetamide
• SMILES: COc1ccccc1CN(CCc1c[nH]c2ccccc12)C(=O)CN(C(=O)C(c1ccccc1)c1ccccc1)C1CC1
• InChI: InChI=1S/C37H37N3O3/c1-43-34-19-11-8-16-30(34)25-39(23-22-29-24-38-33-18-10-9-17-32(29)33)35(41)26-40(31-20-21-31)37(42)36(27-12-4-2-5-13-27)28-14-6-3-7-15-28/h2-19,24,31,36,38H,20-23,25-26H2,1H3
• InChIKey: MQNKCANHJQSALJ-UHFFFAOYSA-N
• XLogP: 6.57
• TPSA: 65.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	571.72
LogP ≤ 5	6.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]-2,2-diphenylacetamide (CID 24717900) is N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]-2,2-diphenylacetamide.

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

The canonical SMILES for N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]-2,2-diphenylacetamide is COc1ccccc1CN(CCc1c[nH]c2ccccc12)C(=O)CN(C(=O)C(c1ccccc1)c1ccccc1)C1CC1.

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

The InChIKey is MQNKCANHJQSALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37N3O3/c1-43-34-19-11-8-16-30(34)25-39(23-22-29-24-38-33-18-10-9-17-32(29)33)35(41)26-40(31-20-21-31)37(42)36(27-12-4-2-5-13-27)28-14-6-3-7-15-28/h2-19,24,31,36,38H,20-23,25-26H2,1H3.

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

N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]-2,2-diphenylacetamide has a molecular weight of 571.72 g/mol, XLogP of 6.57, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]-2,2-diphenylacetamide is sourced from PubChem (CID 24717900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).