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

C31H41N3O3 — CID 4620267

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

N-cyclopropyl-2-ethyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]hexanamide (PubChem CID 4620267) has the molecular formula C31H41N3O3 and a molecular weight of 503.69 g/mol. Its IUPAC name is N-cyclopropyl-2-ethyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]hexanamide.

Molecular Properties

• Compound Name: N-cyclopropyl-2-ethyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]hexanamide
• PubChem CID: 4620267
• Molecular Formula: C31H41N3O3
• Molecular Weight: 503.69 g/mol
• Exact Mass: 503.31
• IUPAC Name: N-cyclopropyl-2-ethyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]hexanamide
• SMILES: CCCCC(CC)C(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1OC)C1CC1
• InChI: InChI=1S/C31H41N3O3/c1-4-6-11-23(5-2)31(36)34(26-16-17-26)22-30(35)33(21-25-12-7-10-15-29(25)37-3)19-18-24-20-32-28-14-9-8-13-27(24)28/h7-10,12-15,20,23,26,32H,4-6,11,16-19,21-22H2,1-3H3
• InChIKey: SEHCVEYOWXXGFP-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 65.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 14
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.69
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-cyclopropyl-2-ethyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]hexanamide (CID 4620267) is N-cyclopropyl-2-ethyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]hexanamide.

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

The canonical SMILES for N-cyclopropyl-2-ethyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]hexanamide is CCCCC(CC)C(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1OC)C1CC1.

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

The InChIKey is SEHCVEYOWXXGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N3O3/c1-4-6-11-23(5-2)31(36)34(26-16-17-26)22-30(35)33(21-25-12-7-10-15-29(25)37-3)19-18-24-20-32-28-14-9-8-13-27(24)28/h7-10,12-15,20,23,26,32H,4-6,11,16-19,21-22H2,1-3H3.

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

N-cyclopropyl-2-ethyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]hexanamide has a molecular weight of 503.69 g/mol, XLogP of 5.96, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-ethyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]hexanamide is sourced from PubChem (CID 4620267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).