ethyl N-[(2R)-1-[[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate

C35H33N5O3 — CID 155266711

About ethyl N-[(2R)-1-[[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate

ethyl N-[(2R)-1-[[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate (PubChem CID 155266711) has the molecular formula C35H33N5O3 and a molecular weight of 571.68 g/mol. Its IUPAC name is ethyl N-[(2R)-1-[[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate.

Molecular Properties

• Compound Name: ethyl N-[(2R)-1-[[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate
• PubChem CID: 155266711
• Molecular Formula: C35H33N5O3
• Molecular Weight: 571.68 g/mol
• Exact Mass: 571.26
• IUPAC Name: ethyl N-[(2R)-1-[[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate
• SMILES: CCOC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1ncc(-c2ccccc2)[nH]1
• InChI: InChI=1S/C35H33N5O3/c1-2-43-35(42)40-31(19-23-16-17-24-10-6-7-13-26(24)18-23)34(41)39-30(20-27-21-36-29-15-9-8-14-28(27)29)33-37-22-32(38-33)25-11-4-3-5-12-25/h3-18,21-22,30-31,36H,2,19-20H2,1H3,(H,37,38)(H,39,41)(H,40,42)/t30-,31-/m1/s1
• InChIKey: WOCSTJHQQZZJMZ-FIRIVFDPSA-N
• XLogP: 6.47
• TPSA: 111.90 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	571.68
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2R)-1-[[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate?

The IUPAC name of ethyl N-[(2R)-1-[[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate (CID 155266711) is ethyl N-[(2R)-1-[[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate.

What is the SMILES notation for ethyl N-[(2R)-1-[[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate?

The canonical SMILES for ethyl N-[(2R)-1-[[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate is CCOC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1ncc(-c2ccccc2)[nH]1.

What is the InChIKey of ethyl N-[(2R)-1-[[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate?

The InChIKey is WOCSTJHQQZZJMZ-FIRIVFDPSA-N. The full InChI is InChI=1S/C35H33N5O3/c1-2-43-35(42)40-31(19-23-16-17-24-10-6-7-13-26(24)18-23)34(41)39-30(20-27-21-36-29-15-9-8-14-28(27)29)33-37-22-32(38-33)25-11-4-3-5-12-25/h3-18,21-22,30-31,36H,2,19-20H2,1H3,(H,37,38)(H,39,41)(H,40,42)/t30-,31-/m1/s1.

What are the key properties of ethyl N-[(2R)-1-[[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate?

ethyl N-[(2R)-1-[[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate has a molecular weight of 571.68 g/mol, XLogP of 6.47, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[(2R)-1-[[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 155266711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).