N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[(2E,4Z)-2-prop-1-en-2-ylhexa-2,4-dienoxy]phenyl]acetamide

C32H35NO2 — CID 144523614

About N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[(2E,4Z)-2-prop-1-en-2-ylhexa-2,4-dienoxy]phenyl]acetamide

N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[(2E,4Z)-2-prop-1-en-2-ylhexa-2,4-dienoxy]phenyl]acetamide (PubChem CID 144523614) has the molecular formula C32H35NO2 and a molecular weight of 465.64 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[(2E,4Z)-2-prop-1-en-2-ylhexa-2,4-dienoxy]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[(2E,4Z)-2-prop-1-en-2-ylhexa-2,4-dienoxy]phenyl]acetamide
• PubChem CID: 144523614
• Molecular Formula: C32H35NO2
• Molecular Weight: 465.64 g/mol
• Exact Mass: 465.27
• IUPAC Name: N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[(2E,4Z)-2-prop-1-en-2-ylhexa-2,4-dienoxy]phenyl]acetamide
• SMILES: C=C(C)/C(=C\C=C/C)COc1ccc(CC(=O)NC(c2ccccc2)c2ccc(C)cc2C)cc1
• InChI: InChI=1S/C32H35NO2/c1-6-7-11-28(23(2)3)22-35-29-17-15-26(16-18-29)21-31(34)33-32(27-12-9-8-10-13-27)30-19-14-24(4)20-25(30)5/h6-20,32H,2,21-22H2,1,3-5H3,(H,33,34)/b7-6-,28-11-
• InChIKey: MXCUYVGCQYSORF-IZQCKKALSA-N
• XLogP: 7.21
• TPSA: 38.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.64
LogP ≤ 5	7.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[(2E,4Z)-2-prop-1-en-2-ylhexa-2,4-dienoxy]phenyl]acetamide?

The IUPAC name of N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[(2E,4Z)-2-prop-1-en-2-ylhexa-2,4-dienoxy]phenyl]acetamide (CID 144523614) is N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[(2E,4Z)-2-prop-1-en-2-ylhexa-2,4-dienoxy]phenyl]acetamide.

What is the SMILES notation for N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[(2E,4Z)-2-prop-1-en-2-ylhexa-2,4-dienoxy]phenyl]acetamide?

The canonical SMILES for N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[(2E,4Z)-2-prop-1-en-2-ylhexa-2,4-dienoxy]phenyl]acetamide is C=C(C)/C(=C\C=C/C)COc1ccc(CC(=O)NC(c2ccccc2)c2ccc(C)cc2C)cc1.

What is the InChIKey of N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[(2E,4Z)-2-prop-1-en-2-ylhexa-2,4-dienoxy]phenyl]acetamide?

The InChIKey is MXCUYVGCQYSORF-IZQCKKALSA-N. The full InChI is InChI=1S/C32H35NO2/c1-6-7-11-28(23(2)3)22-35-29-17-15-26(16-18-29)21-31(34)33-32(27-12-9-8-10-13-27)30-19-14-24(4)20-25(30)5/h6-20,32H,2,21-22H2,1,3-5H3,(H,33,34)/b7-6-,28-11-.

What are the key properties of N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[(2E,4Z)-2-prop-1-en-2-ylhexa-2,4-dienoxy]phenyl]acetamide?

N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[(2E,4Z)-2-prop-1-en-2-ylhexa-2,4-dienoxy]phenyl]acetamide has a molecular weight of 465.64 g/mol, XLogP of 7.21, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[(2E,4Z)-2-prop-1-en-2-ylhexa-2,4-dienoxy]phenyl]acetamide is sourced from PubChem (CID 144523614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).