(E)-N-hydroxy-3-[4-(2-pyridin-2-ylethoxy)phenyl]prop-2-enamide;(E)-N-methyl-3-[4-[4-(2-methyl-1H-indol-3-yl)butyl]phenyl]prop-2-enamide

C39H42N4O4 — CID 162293551

About (E)-N-hydroxy-3-[4-(2-pyridin-2-ylethoxy)phenyl]prop-2-enamide;(E)-N-methyl-3-[4-[4-(2-methyl-1H-indol-3-yl)butyl]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[4-(2-pyridin-2-ylethoxy)phenyl]prop-2-enamide;(E)-N-methyl-3-[4-[4-(2-methyl-1H-indol-3-yl)butyl]phenyl]prop-2-enamide (PubChem CID 162293551) has the molecular formula C39H42N4O4 and a molecular weight of 630.79 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[4-(2-pyridin-2-ylethoxy)phenyl]prop-2-enamide;(E)-N-methyl-3-[4-[4-(2-methyl-1H-indol-3-yl)butyl]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: (E)-N-hydroxy-3-[4-(2-pyridin-2-ylethoxy)phenyl]prop-2-enamide;(E)-N-methyl-3-[4-[4-(2-methyl-1H-indol-3-yl)butyl]phenyl]prop-2-enamide
• PubChem CID: 162293551
• Molecular Formula: C39H42N4O4
• Molecular Weight: 630.79 g/mol
• Exact Mass: 630.32
• IUPAC Name: (E)-N-hydroxy-3-[4-(2-pyridin-2-ylethoxy)phenyl]prop-2-enamide;(E)-N-methyl-3-[4-[4-(2-methyl-1H-indol-3-yl)butyl]phenyl]prop-2-enamide
• SMILES: CNC(=O)/C=C/c1ccc(CCCCc2c(C)[nH]c3ccccc23)cc1.O=C(/C=C/c1ccc(OCCc2ccccn2)cc1)NO
• InChI: InChI=1S/C23H26N2O.C16H16N2O3/c1-17-20(21-9-5-6-10-22(21)25-17)8-4-3-7-18-11-13-19(14-12-18)15-16-23(26)24-2;19-16(18-20)9-6-13-4-7-15(8-5-13)21-12-10-14-3-1-2-11-17-14/h5-6,9-16,25H,3-4,7-8H2,1-2H3,(H,24,26);1-9,11,20H,10,12H2,(H,18,19)/b16-15+;9-6+
• InChIKey: KJYRPVLTVYXOJG-NRBXGSENSA-N
• XLogP: 7.02
• TPSA: 116.34 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	630.79
LogP ≤ 5	7.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[4-(2-pyridin-2-ylethoxy)phenyl]prop-2-enamide;(E)-N-methyl-3-[4-[4-(2-methyl-1H-indol-3-yl)butyl]phenyl]prop-2-enamide?

The IUPAC name of (E)-N-hydroxy-3-[4-(2-pyridin-2-ylethoxy)phenyl]prop-2-enamide;(E)-N-methyl-3-[4-[4-(2-methyl-1H-indol-3-yl)butyl]phenyl]prop-2-enamide (CID 162293551) is (E)-N-hydroxy-3-[4-(2-pyridin-2-ylethoxy)phenyl]prop-2-enamide;(E)-N-methyl-3-[4-[4-(2-methyl-1H-indol-3-yl)butyl]phenyl]prop-2-enamide.

What is the SMILES notation for (E)-N-hydroxy-3-[4-(2-pyridin-2-ylethoxy)phenyl]prop-2-enamide;(E)-N-methyl-3-[4-[4-(2-methyl-1H-indol-3-yl)butyl]phenyl]prop-2-enamide?

The canonical SMILES for (E)-N-hydroxy-3-[4-(2-pyridin-2-ylethoxy)phenyl]prop-2-enamide;(E)-N-methyl-3-[4-[4-(2-methyl-1H-indol-3-yl)butyl]phenyl]prop-2-enamide is CNC(=O)/C=C/c1ccc(CCCCc2c(C)[nH]c3ccccc23)cc1.O=C(/C=C/c1ccc(OCCc2ccccn2)cc1)NO.

What is the InChIKey of (E)-N-hydroxy-3-[4-(2-pyridin-2-ylethoxy)phenyl]prop-2-enamide;(E)-N-methyl-3-[4-[4-(2-methyl-1H-indol-3-yl)butyl]phenyl]prop-2-enamide?

The InChIKey is KJYRPVLTVYXOJG-NRBXGSENSA-N. The full InChI is InChI=1S/C23H26N2O.C16H16N2O3/c1-17-20(21-9-5-6-10-22(21)25-17)8-4-3-7-18-11-13-19(14-12-18)15-16-23(26)24-2;19-16(18-20)9-6-13-4-7-15(8-5-13)21-12-10-14-3-1-2-11-17-14/h5-6,9-16,25H,3-4,7-8H2,1-2H3,(H,24,26);1-9,11,20H,10,12H2,(H,18,19)/b16-15+;9-6+.

What are the key properties of (E)-N-hydroxy-3-[4-(2-pyridin-2-ylethoxy)phenyl]prop-2-enamide;(E)-N-methyl-3-[4-[4-(2-methyl-1H-indol-3-yl)butyl]phenyl]prop-2-enamide?

(E)-N-hydroxy-3-[4-(2-pyridin-2-ylethoxy)phenyl]prop-2-enamide;(E)-N-methyl-3-[4-[4-(2-methyl-1H-indol-3-yl)butyl]phenyl]prop-2-enamide has a molecular weight of 630.79 g/mol, XLogP of 7.02, 13 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-hydroxy-3-[4-(2-pyridin-2-ylethoxy)phenyl]prop-2-enamide;(E)-N-methyl-3-[4-[4-(2-methyl-1H-indol-3-yl)butyl]phenyl]prop-2-enamide is sourced from PubChem (CID 162293551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).