N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzamide

C30H34N2O5 — CID 100761484

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzamide (PubChem CID 100761484) has the molecular formula C30H34N2O5 and a molecular weight of 502.61 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzamide.

Molecular Properties

• Compound Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzamide
• PubChem CID: 100761484
• Molecular Formula: C30H34N2O5
• Molecular Weight: 502.61 g/mol
• Exact Mass: 502.25
• IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzamide
• SMILES: COc1ccc(CCNC(=O)c2ccccc2NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1OC
• InChI: InChI=1S/C30H34N2O5/c1-20(37-24-14-13-22-8-4-5-9-23(22)19-24)29(33)32-26-11-7-6-10-25(26)30(34)31-17-16-21-12-15-27(35-2)28(18-21)36-3/h6-7,10-15,18-20H,4-5,8-9,16-17H2,1-3H3,(H,31,34)(H,32,33)/t20-/m1/s1
• InChIKey: BATISRGOJUJZNH-HXUWFJFHSA-N
• XLogP: 4.96
• TPSA: 85.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.61
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzamide?

The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzamide (CID 100761484) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzamide.

What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzamide?

The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzamide is COc1ccc(CCNC(=O)c2ccccc2NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1OC.

What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzamide?

The InChIKey is BATISRGOJUJZNH-HXUWFJFHSA-N. The full InChI is InChI=1S/C30H34N2O5/c1-20(37-24-14-13-22-8-4-5-9-23(22)19-24)29(33)32-26-11-7-6-10-25(26)30(34)31-17-16-21-12-15-27(35-2)28(18-21)36-3/h6-7,10-15,18-20H,4-5,8-9,16-17H2,1-3H3,(H,31,34)(H,32,33)/t20-/m1/s1.

What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzamide?

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzamide has a molecular weight of 502.61 g/mol, XLogP of 4.96, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2R)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanoyl]amino]benzamide is sourced from PubChem (CID 100761484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).