N-[2-[(4-tert-butylphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylcyclobutanecarboxamide

C31H41N3O2 — CID 24717568

About N-[2-[(4-tert-butylphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylcyclobutanecarboxamide

N-[2-[(4-tert-butylphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylcyclobutanecarboxamide (PubChem CID 24717568) has the molecular formula C31H41N3O2 and a molecular weight of 487.69 g/mol. Its IUPAC name is N-[2-[(4-tert-butylphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylcyclobutanecarboxamide.

Molecular Properties

• Compound Name: N-[2-[(4-tert-butylphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylcyclobutanecarboxamide
• PubChem CID: 24717568
• Molecular Formula: C31H41N3O2
• Molecular Weight: 487.69 g/mol
• Exact Mass: 487.32
• IUPAC Name: N-[2-[(4-tert-butylphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylcyclobutanecarboxamide
• SMILES: CCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C(=O)C1CCC1
• InChI: InChI=1S/C31H41N3O2/c1-5-18-34(30(36)24-9-8-10-24)22-29(35)33(21-23-13-15-26(16-14-23)31(2,3)4)19-17-25-20-32-28-12-7-6-11-27(25)28/h6-7,11-16,20,24,32H,5,8-10,17-19,21-22H2,1-4H3
• InChIKey: JTPXMGRMOKGBBW-UHFFFAOYSA-N
• XLogP: 6.08
• TPSA: 56.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.69
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-tert-butylphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylcyclobutanecarboxamide?

The IUPAC name of N-[2-[(4-tert-butylphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylcyclobutanecarboxamide (CID 24717568) is N-[2-[(4-tert-butylphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylcyclobutanecarboxamide.

What is the SMILES notation for N-[2-[(4-tert-butylphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylcyclobutanecarboxamide?

The canonical SMILES for N-[2-[(4-tert-butylphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylcyclobutanecarboxamide is CCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C(=O)C1CCC1.

What is the InChIKey of N-[2-[(4-tert-butylphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylcyclobutanecarboxamide?

The InChIKey is JTPXMGRMOKGBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N3O2/c1-5-18-34(30(36)24-9-8-10-24)22-29(35)33(21-23-13-15-26(16-14-23)31(2,3)4)19-17-25-20-32-28-12-7-6-11-27(25)28/h6-7,11-16,20,24,32H,5,8-10,17-19,21-22H2,1-4H3.

What are the key properties of N-[2-[(4-tert-butylphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylcyclobutanecarboxamide?

N-[2-[(4-tert-butylphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylcyclobutanecarboxamide has a molecular weight of 487.69 g/mol, XLogP of 6.08, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(4-tert-butylphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylcyclobutanecarboxamide is sourced from PubChem (CID 24717568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).