(E)-N-cyclopentyl-2-methyl-3-[2,3,5,6-tetramethyl-4-[4-(propan-2-ylamino)phenyl]phenyl]prop-2-enamide

C28H38N2O — CID 59031500

About (E)-N-cyclopentyl-2-methyl-3-[2,3,5,6-tetramethyl-4-[4-(propan-2-ylamino)phenyl]phenyl]prop-2-enamide

(E)-N-cyclopentyl-2-methyl-3-[2,3,5,6-tetramethyl-4-[4-(propan-2-ylamino)phenyl]phenyl]prop-2-enamide (PubChem CID 59031500) has the molecular formula C28H38N2O and a molecular weight of 418.63 g/mol. Its IUPAC name is (E)-N-cyclopentyl-2-methyl-3-[2,3,5,6-tetramethyl-4-[4-(propan-2-ylamino)phenyl]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: (E)-N-cyclopentyl-2-methyl-3-[2,3,5,6-tetramethyl-4-[4-(propan-2-ylamino)phenyl]phenyl]prop-2-enamide
• PubChem CID: 59031500
• Molecular Formula: C28H38N2O
• Molecular Weight: 418.63 g/mol
• Exact Mass: 418.30
• IUPAC Name: (E)-N-cyclopentyl-2-methyl-3-[2,3,5,6-tetramethyl-4-[4-(propan-2-ylamino)phenyl]phenyl]prop-2-enamide
• SMILES: C/C(=C\c1c(C)c(C)c(-c2ccc(NC(C)C)cc2)c(C)c1C)C(=O)NC1CCCC1
• InChI: InChI=1S/C28H38N2O/c1-17(2)29-25-14-12-23(13-15-25)27-21(6)19(4)26(20(5)22(27)7)16-18(3)28(31)30-24-10-8-9-11-24/h12-17,24,29H,8-11H2,1-7H3,(H,30,31)/b18-16+
• InChIKey: NWZOQTFBXKUCNO-FBMGVBCBSA-N
• XLogP: 6.87
• TPSA: 41.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	418.63
LogP ≤ 5	6.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopentyl-2-methyl-3-[2,3,5,6-tetramethyl-4-[4-(propan-2-ylamino)phenyl]phenyl]prop-2-enamide?

The IUPAC name of (E)-N-cyclopentyl-2-methyl-3-[2,3,5,6-tetramethyl-4-[4-(propan-2-ylamino)phenyl]phenyl]prop-2-enamide (CID 59031500) is (E)-N-cyclopentyl-2-methyl-3-[2,3,5,6-tetramethyl-4-[4-(propan-2-ylamino)phenyl]phenyl]prop-2-enamide.

What is the SMILES notation for (E)-N-cyclopentyl-2-methyl-3-[2,3,5,6-tetramethyl-4-[4-(propan-2-ylamino)phenyl]phenyl]prop-2-enamide?

The canonical SMILES for (E)-N-cyclopentyl-2-methyl-3-[2,3,5,6-tetramethyl-4-[4-(propan-2-ylamino)phenyl]phenyl]prop-2-enamide is C/C(=C\c1c(C)c(C)c(-c2ccc(NC(C)C)cc2)c(C)c1C)C(=O)NC1CCCC1.

What is the InChIKey of (E)-N-cyclopentyl-2-methyl-3-[2,3,5,6-tetramethyl-4-[4-(propan-2-ylamino)phenyl]phenyl]prop-2-enamide?

The InChIKey is NWZOQTFBXKUCNO-FBMGVBCBSA-N. The full InChI is InChI=1S/C28H38N2O/c1-17(2)29-25-14-12-23(13-15-25)27-21(6)19(4)26(20(5)22(27)7)16-18(3)28(31)30-24-10-8-9-11-24/h12-17,24,29H,8-11H2,1-7H3,(H,30,31)/b18-16+.

What are the key properties of (E)-N-cyclopentyl-2-methyl-3-[2,3,5,6-tetramethyl-4-[4-(propan-2-ylamino)phenyl]phenyl]prop-2-enamide?

(E)-N-cyclopentyl-2-methyl-3-[2,3,5,6-tetramethyl-4-[4-(propan-2-ylamino)phenyl]phenyl]prop-2-enamide has a molecular weight of 418.63 g/mol, XLogP of 6.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-cyclopentyl-2-methyl-3-[2,3,5,6-tetramethyl-4-[4-(propan-2-ylamino)phenyl]phenyl]prop-2-enamide is sourced from PubChem (CID 59031500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).