N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-ethylhexanamide

C32H43N3O3 — CID 4578351

About N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-ethylhexanamide

N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-ethylhexanamide (PubChem CID 4578351) has the molecular formula C32H43N3O3 and a molecular weight of 517.71 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-ethylhexanamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-ethylhexanamide
• PubChem CID: 4578351
• Molecular Formula: C32H43N3O3
• Molecular Weight: 517.71 g/mol
• Exact Mass: 517.33
• IUPAC Name: N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-ethylhexanamide
• SMILES: CCCCC(CC)C(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(OCC)cc1)C1CC1
• InChI: InChI=1S/C32H43N3O3/c1-4-7-10-25(5-2)32(37)35(27-15-16-27)23-31(36)34(22-24-13-17-28(18-14-24)38-6-3)20-19-26-21-33-30-12-9-8-11-29(26)30/h8-9,11-14,17-18,21,25,27,33H,4-7,10,15-16,19-20,22-23H2,1-3H3
• InChIKey: GLORTLIBRLPJCY-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 65.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 15
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.71
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-ethylhexanamide (CID 4578351) is N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-ethylhexanamide.

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

The canonical SMILES for N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-ethylhexanamide is CCCCC(CC)C(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(OCC)cc1)C1CC1.

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

The InChIKey is GLORTLIBRLPJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N3O3/c1-4-7-10-25(5-2)32(37)35(27-15-16-27)23-31(36)34(22-24-13-17-28(18-14-24)38-6-3)20-19-26-21-33-30-12-9-8-11-29(26)30/h8-9,11-14,17-18,21,25,27,33H,4-7,10,15-16,19-20,22-23H2,1-3H3.

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

N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-ethylhexanamide has a molecular weight of 517.71 g/mol, XLogP of 6.35, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-ethylhexanamide is sourced from PubChem (CID 4578351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).