N-butyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide;2-ethoxyethyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate

C76H121NO12 — CID 164990017

About N-butyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide;2-ethoxyethyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate

N-butyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide;2-ethoxyethyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate (PubChem CID 164990017) has the molecular formula C76H121NO12 and a molecular weight of 1240.80 g/mol. Its IUPAC name is N-butyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide;2-ethoxyethyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate.

Molecular Properties

• Compound Name: N-butyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide;2-ethoxyethyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
• PubChem CID: 164990017
• Molecular Formula: C76H121NO12
• Molecular Weight: 1240.80 g/mol
• Exact Mass: 1239.89
• IUPAC Name: N-butyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide;2-ethoxyethyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
• SMILES: CCCCNC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.CCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.CCOCCOC(=O)CCc1cc(C)c(O)c(C(C)(C)C)c1.COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
• InChI: InChI=1S/C21H35NO2.C19H30O3.C18H28O4.C18H28O3/c1-8-9-12-22-18(23)11-10-15-13-16(20(2,3)4)19(24)17(14-15)21(5,6)7;1-8-22-16(20)10-9-13-11-14(18(2,3)4)17(21)15(12-13)19(5,6)7;1-6-21-9-10-22-16(19)8-7-14-11-13(2)17(20)15(12-14)18(3,4)5;1-17(2,3)13-10-12(8-9-15(19)21-7)11-14(16(13)20)18(4,5)6/h13-14,24H,8-12H2,1-7H3,(H,22,23);11-12,21H,8-10H2,1-7H3;11-12,20H,6-10H2,1-5H3;10-11,20H,8-9H2,1-7H3
• InChIKey: GSGRTYIOKWSCIU-UHFFFAOYSA-N
• XLogP: 16.92
• TPSA: 198.15 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 20
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1240.80
LogP ≤ 5	16.92
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide;2-ethoxyethyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate?

The IUPAC name of N-butyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide;2-ethoxyethyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate (CID 164990017) is N-butyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide;2-ethoxyethyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate.

What is the SMILES notation for N-butyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide;2-ethoxyethyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate?

The canonical SMILES for N-butyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide;2-ethoxyethyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate is CCCCNC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.CCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.CCOCCOC(=O)CCc1cc(C)c(O)c(C(C)(C)C)c1.COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.

What is the InChIKey of N-butyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide;2-ethoxyethyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate?

The InChIKey is GSGRTYIOKWSCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO2.C19H30O3.C18H28O4.C18H28O3/c1-8-9-12-22-18(23)11-10-15-13-16(20(2,3)4)19(24)17(14-15)21(5,6)7;1-8-22-16(20)10-9-13-11-14(18(2,3)4)17(21)15(12-13)19(5,6)7;1-6-21-9-10-22-16(19)8-7-14-11-13(2)17(20)15(12-14)18(3,4)5;1-17(2,3)13-10-12(8-9-15(19)21-7)11-14(16(13)20)18(4,5)6/h13-14,24H,8-12H2,1-7H3,(H,22,23);11-12,21H,8-10H2,1-7H3;11-12,20H,6-10H2,1-5H3;10-11,20H,8-9H2,1-7H3.

What are the key properties of N-butyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide;2-ethoxyethyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate?

N-butyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide;2-ethoxyethyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate has a molecular weight of 1240.80 g/mol, XLogP of 16.92, 20 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide;2-ethoxyethyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate;ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate is sourced from PubChem (CID 164990017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).