N-(2,6-diethylphenyl)-2-[3-[3-(2-phenylmethoxyphenyl)prop-2-enoyl]phenyl]acetamide

C34H33NO3 — CID 139602210

About N-(2,6-diethylphenyl)-2-[3-[3-(2-phenylmethoxyphenyl)prop-2-enoyl]phenyl]acetamide

N-(2,6-diethylphenyl)-2-[3-[3-(2-phenylmethoxyphenyl)prop-2-enoyl]phenyl]acetamide (PubChem CID 139602210) has the molecular formula C34H33NO3 and a molecular weight of 503.64 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-[3-[3-(2-phenylmethoxyphenyl)prop-2-enoyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-(2,6-diethylphenyl)-2-[3-[3-(2-phenylmethoxyphenyl)prop-2-enoyl]phenyl]acetamide
• PubChem CID: 139602210
• Molecular Formula: C34H33NO3
• Molecular Weight: 503.64 g/mol
• Exact Mass: 503.25
• IUPAC Name: N-(2,6-diethylphenyl)-2-[3-[3-(2-phenylmethoxyphenyl)prop-2-enoyl]phenyl]acetamide
• SMILES: CCc1cccc(CC)c1NC(=O)Cc1cccc(C(=O)C=Cc2ccccc2OCc2ccccc2)c1
• InChI: InChI=1S/C34H33NO3/c1-3-27-16-11-17-28(4-2)34(27)35-33(37)23-26-14-10-18-30(22-26)31(36)21-20-29-15-8-9-19-32(29)38-24-25-12-6-5-7-13-25/h5-22H,3-4,23-24H2,1-2H3,(H,35,37)
• InChIKey: CYFLXCZCFMELMK-UHFFFAOYSA-N
• XLogP: 7.47
• TPSA: 55.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.64
LogP ≤ 5	7.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-[3-[3-(2-phenylmethoxyphenyl)prop-2-enoyl]phenyl]acetamide?

The IUPAC name of N-(2,6-diethylphenyl)-2-[3-[3-(2-phenylmethoxyphenyl)prop-2-enoyl]phenyl]acetamide (CID 139602210) is N-(2,6-diethylphenyl)-2-[3-[3-(2-phenylmethoxyphenyl)prop-2-enoyl]phenyl]acetamide.

What is the SMILES notation for N-(2,6-diethylphenyl)-2-[3-[3-(2-phenylmethoxyphenyl)prop-2-enoyl]phenyl]acetamide?

The canonical SMILES for N-(2,6-diethylphenyl)-2-[3-[3-(2-phenylmethoxyphenyl)prop-2-enoyl]phenyl]acetamide is CCc1cccc(CC)c1NC(=O)Cc1cccc(C(=O)C=Cc2ccccc2OCc2ccccc2)c1.

What is the InChIKey of N-(2,6-diethylphenyl)-2-[3-[3-(2-phenylmethoxyphenyl)prop-2-enoyl]phenyl]acetamide?

The InChIKey is CYFLXCZCFMELMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33NO3/c1-3-27-16-11-17-28(4-2)34(27)35-33(37)23-26-14-10-18-30(22-26)31(36)21-20-29-15-8-9-19-32(29)38-24-25-12-6-5-7-13-25/h5-22H,3-4,23-24H2,1-2H3,(H,35,37).

What are the key properties of N-(2,6-diethylphenyl)-2-[3-[3-(2-phenylmethoxyphenyl)prop-2-enoyl]phenyl]acetamide?

N-(2,6-diethylphenyl)-2-[3-[3-(2-phenylmethoxyphenyl)prop-2-enoyl]phenyl]acetamide has a molecular weight of 503.64 g/mol, XLogP of 7.47, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-diethylphenyl)-2-[3-[3-(2-phenylmethoxyphenyl)prop-2-enoyl]phenyl]acetamide is sourced from PubChem (CID 139602210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).