2-(4-hydroxy-3-methoxyphenyl)-N-phenylmethoxynonanamide

C23H31NO4 — CID 123770580

IUPAC2-(4-hydroxy-3-methoxyphenyl)-N-phenylmethoxynonanamide
SMILESCCCCCCCC(C(=O)NOCc1ccccc1)c1ccc(O)c(OC)c1
InChIInChI=1S/C23H31NO4/c1-3-4-5-6-10-13-20(19-14-15-21(25)22(16-19)27-2)23(26)24-28-17-18-11-8-7-9-12-18/h7-9,11-12,14-16,20,25H,3-6,10,13,17H2,1-2H3,(H,24,26)
InChIKeyALLWNEORMVXVCA-UHFFFAOYSA-N
MW385.50 g/mol
LogP5.09
Rot. Bonds12

About 2-(4-hydroxy-3-methoxyphenyl)-N-phenylmethoxynonanamide

2-(4-hydroxy-3-methoxyphenyl)-N-phenylmethoxynonanamide (PubChem CID 123770580) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methoxyphenyl)-N-phenylmethoxynonanamide.

Molecular Properties

Compound Name2-(4-hydroxy-3-methoxyphenyl)-N-phenylmethoxynonanamide
PubChem CID123770580
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC Name2-(4-hydroxy-3-methoxyphenyl)-N-phenylmethoxynonanamide
SMILESCCCCCCCC(C(=O)NOCc1ccccc1)c1ccc(O)c(OC)c1
InChIInChI=1S/C23H31NO4/c1-3-4-5-6-10-13-20(19-14-15-21(25)22(16-19)27-2)23(26)24-28-17-18-11-8-7-9-12-18/h7-9,11-12,14-16,20,25H,3-6,10,13,17H2,1-2H3,(H,24,26)
InChIKeyALLWNEORMVXVCA-UHFFFAOYSA-N
XLogP5.09
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.50
LogP ≤ 55.09
H-Bond Donors ≤ 52
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

N-hydroxy-2-(4-hydroxy-3-methoxyphenyl)decanamide
CID 123800302
2-(4-hydroxy-3-methoxyphenyl)icos-11-enamide
CID 57346587
2-(phenylmethoxycarbamoyl)heptanoic acid
CID 87592184
4-(1-hydroxyheptyl)-2-methoxyphenol
CID 14035097
2-(4-hydroxy-3-methoxyphenyl)-N-[(E)-nonadec-9-en-2-yl]propanamide
CID 70402625
benzyl 4-hydroxy-3-methoxynonanoate;(4-hydroxy-3-methoxyphenyl)methyl nonanoate
CID 129308074
2-[(4-hydroxy-3-methoxyphenyl)methyl]decanamide
CID 68625712
benzyl 2-phenylheptanoate
CID 175026183
4-hexoxy-3-methoxy-N-phenylmethoxybenzamide
CID 55338649
(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione;1-phenylheptylbenzene
CID 175027137
4-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride
CID 171203083
(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)hexan-1-amine;hydrochloride
CID 171214526

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-N-phenylmethoxynonanamide?
The IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-N-phenylmethoxynonanamide (CID 123770580) is 2-(4-hydroxy-3-methoxyphenyl)-N-phenylmethoxynonanamide.
What is the SMILES notation for 2-(4-hydroxy-3-methoxyphenyl)-N-phenylmethoxynonanamide?
The canonical SMILES for 2-(4-hydroxy-3-methoxyphenyl)-N-phenylmethoxynonanamide is CCCCCCCC(C(=O)NOCc1ccccc1)c1ccc(O)c(OC)c1.
What is the InChIKey of 2-(4-hydroxy-3-methoxyphenyl)-N-phenylmethoxynonanamide?
The InChIKey is ALLWNEORMVXVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO4/c1-3-4-5-6-10-13-20(19-14-15-21(25)22(16-19)27-2)23(26)24-28-17-18-11-8-7-9-12-18/h7-9,11-12,14-16,20,25H,3-6,10,13,17H2,1-2H3,(H,24,26).
What are the key properties of 2-(4-hydroxy-3-methoxyphenyl)-N-phenylmethoxynonanamide?
2-(4-hydroxy-3-methoxyphenyl)-N-phenylmethoxynonanamide has a molecular weight of 385.50 g/mol, XLogP of 5.09, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methoxyphenyl)-N-phenylmethoxynonanamide is sourced from PubChem (CID 123770580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).