2-(4-hydroxy-3-methoxyphenyl)-N-octyl-N-phenylmethoxyacetamide

C24H33NO4 — CID 88959314

IUPAC2-(4-hydroxy-3-methoxyphenyl)-N-octyl-N-phenylmethoxyacetamide
SMILESCCCCCCCCN(OCc1ccccc1)C(=O)Cc1ccc(O)c(OC)c1
InChIInChI=1S/C24H33NO4/c1-3-4-5-6-7-11-16-25(29-19-20-12-9-8-10-13-20)24(27)18-21-14-15-22(26)23(17-21)28-2/h8-10,12-15,17,26H,3-7,11,16,18-19H2,1-2H3
InChIKeyHPRQVKVJYYSHMY-UHFFFAOYSA-N
MW399.53 g/mol
LogP5.26
Rot. Bonds13

About 2-(4-hydroxy-3-methoxyphenyl)-N-octyl-N-phenylmethoxyacetamide

2-(4-hydroxy-3-methoxyphenyl)-N-octyl-N-phenylmethoxyacetamide (PubChem CID 88959314) has the molecular formula C24H33NO4 and a molecular weight of 399.53 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methoxyphenyl)-N-octyl-N-phenylmethoxyacetamide.

Molecular Properties

Compound Name2-(4-hydroxy-3-methoxyphenyl)-N-octyl-N-phenylmethoxyacetamide
PubChem CID88959314
Molecular FormulaC24H33NO4
Molecular Weight399.53 g/mol
Exact Mass399.24
IUPAC Name2-(4-hydroxy-3-methoxyphenyl)-N-octyl-N-phenylmethoxyacetamide
SMILESCCCCCCCCN(OCc1ccccc1)C(=O)Cc1ccc(O)c(OC)c1
InChIInChI=1S/C24H33NO4/c1-3-4-5-6-7-11-16-25(29-19-20-12-9-8-10-13-20)24(27)18-21-14-15-22(26)23(17-21)28-2/h8-10,12-15,17,26H,3-7,11,16,18-19H2,1-2H3
InChIKeyHPRQVKVJYYSHMY-UHFFFAOYSA-N
XLogP5.26
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.53
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,1-dimethyl-3-octyl-3-phenylmethoxyurea
CID 14227207
N-benzyl-2-(3-fluoro-4-hydroxyphenyl)-N-hexylacetamide
CID 68871257
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol;nonanoic acid
CID 155414838
(4-hydroxy-3-methoxyphenyl)methyl undecanoate
CID 15979965
(4-hydroxy-3-methoxyphenyl)methyl tridecanoate
CID 25120035
2-(4-hydroxy-3-methoxyphenyl)acetic acid;hydrate
CID 141474134
2-methoxy-4-(tetradecoxymethyl)phenol
CID 15468909
ethoxyethane;(4-hydroxy-3-methoxyphenyl)methyl nonanoate
CID 155414836
benzyl 4-hydroxy-3-methoxynonanoate;(4-hydroxy-3-methoxyphenyl)methyl nonanoate
CID 129308074
N-dodec-1-enyl-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 57250205
2-(4-hydroxy-3-methoxyphenyl)-N-phenylmethoxynonanamide
CID 123770580
3-[11-(dimethylamino)undecanoyl-phenylmethoxyamino]propanoic acid
CID 151814442

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-N-octyl-N-phenylmethoxyacetamide?
The IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-N-octyl-N-phenylmethoxyacetamide (CID 88959314) is 2-(4-hydroxy-3-methoxyphenyl)-N-octyl-N-phenylmethoxyacetamide.
What is the SMILES notation for 2-(4-hydroxy-3-methoxyphenyl)-N-octyl-N-phenylmethoxyacetamide?
The canonical SMILES for 2-(4-hydroxy-3-methoxyphenyl)-N-octyl-N-phenylmethoxyacetamide is CCCCCCCCN(OCc1ccccc1)C(=O)Cc1ccc(O)c(OC)c1.
What is the InChIKey of 2-(4-hydroxy-3-methoxyphenyl)-N-octyl-N-phenylmethoxyacetamide?
The InChIKey is HPRQVKVJYYSHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO4/c1-3-4-5-6-7-11-16-25(29-19-20-12-9-8-10-13-20)24(27)18-21-14-15-22(26)23(17-21)28-2/h8-10,12-15,17,26H,3-7,11,16,18-19H2,1-2H3.
What are the key properties of 2-(4-hydroxy-3-methoxyphenyl)-N-octyl-N-phenylmethoxyacetamide?
2-(4-hydroxy-3-methoxyphenyl)-N-octyl-N-phenylmethoxyacetamide has a molecular weight of 399.53 g/mol, XLogP of 5.26, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methoxyphenyl)-N-octyl-N-phenylmethoxyacetamide is sourced from PubChem (CID 88959314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).