(E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-methyl-N-(4-phenylcyclohexyl)prop-2-enamide

C29H34N2O4 — CID 55589025

About (E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-methyl-N-(4-phenylcyclohexyl)prop-2-enamide

(E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-methyl-N-(4-phenylcyclohexyl)prop-2-enamide (PubChem CID 55589025) has the molecular formula C29H34N2O4 and a molecular weight of 474.60 g/mol. Its IUPAC name is (E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-methyl-N-(4-phenylcyclohexyl)prop-2-enamide.

Molecular Properties

• Compound Name: (E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-methyl-N-(4-phenylcyclohexyl)prop-2-enamide
• PubChem CID: 55589025
• Molecular Formula: C29H34N2O4
• Molecular Weight: 474.60 g/mol
• Exact Mass: 474.25
• IUPAC Name: (E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-methyl-N-(4-phenylcyclohexyl)prop-2-enamide
• SMILES: COc1cc(/C=C/C(=O)N(C)C2CCC(c3ccccc3)CC2)ccc1OCc1c(C)noc1C
• InChI: InChI=1S/C29H34N2O4/c1-20-26(21(2)35-30-20)19-34-27-16-10-22(18-28(27)33-4)11-17-29(32)31(3)25-14-12-24(13-15-25)23-8-6-5-7-9-23/h5-11,16-18,24-25H,12-15,19H2,1-4H3/b17-11+
• InChIKey: AMQLUPJMCLXHIL-GZTJUZNOSA-N
• XLogP: 6.08
• TPSA: 64.80 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.60
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-methyl-N-(4-phenylcyclohexyl)prop-2-enamide?

The IUPAC name of (E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-methyl-N-(4-phenylcyclohexyl)prop-2-enamide (CID 55589025) is (E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-methyl-N-(4-phenylcyclohexyl)prop-2-enamide.

What is the SMILES notation for (E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-methyl-N-(4-phenylcyclohexyl)prop-2-enamide?

The canonical SMILES for (E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-methyl-N-(4-phenylcyclohexyl)prop-2-enamide is COc1cc(/C=C/C(=O)N(C)C2CCC(c3ccccc3)CC2)ccc1OCc1c(C)noc1C.

What is the InChIKey of (E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-methyl-N-(4-phenylcyclohexyl)prop-2-enamide?

The InChIKey is AMQLUPJMCLXHIL-GZTJUZNOSA-N. The full InChI is InChI=1S/C29H34N2O4/c1-20-26(21(2)35-30-20)19-34-27-16-10-22(18-28(27)33-4)11-17-29(32)31(3)25-14-12-24(13-15-25)23-8-6-5-7-9-23/h5-11,16-18,24-25H,12-15,19H2,1-4H3/b17-11+.

What are the key properties of (E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-methyl-N-(4-phenylcyclohexyl)prop-2-enamide?

(E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-methyl-N-(4-phenylcyclohexyl)prop-2-enamide has a molecular weight of 474.60 g/mol, XLogP of 6.08, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-methyl-N-(4-phenylcyclohexyl)prop-2-enamide is sourced from PubChem (CID 55589025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).