N-(3-hydroxy-4-methoxybutyl)-2-(2-methoxy-4-methylphenoxy)acetamide

C15H23NO5 — CID 103876701

IUPACN-(3-hydroxy-4-methoxybutyl)-2-(2-methoxy-4-methylphenoxy)acetamide
SMILESCOCC(O)CCNC(=O)COc1ccc(C)cc1OC
InChIInChI=1S/C15H23NO5/c1-11-4-5-13(14(8-11)20-3)21-10-15(18)16-7-6-12(17)9-19-2/h4-5,8,12,17H,6-7,9-10H2,1-3H3,(H,16,18)
InChIKeyNOXZAXZFZMNVHX-UHFFFAOYSA-N
MW297.35 g/mol
LogP0.90
Rot. Bonds9

About N-(3-hydroxy-4-methoxybutyl)-2-(2-methoxy-4-methylphenoxy)acetamide

N-(3-hydroxy-4-methoxybutyl)-2-(2-methoxy-4-methylphenoxy)acetamide (PubChem CID 103876701) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-(3-hydroxy-4-methoxybutyl)-2-(2-methoxy-4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methoxybutyl)-2-(2-methoxy-4-methylphenoxy)acetamide
PubChem CID103876701
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC NameN-(3-hydroxy-4-methoxybutyl)-2-(2-methoxy-4-methylphenoxy)acetamide
SMILESCOCC(O)CCNC(=O)COc1ccc(C)cc1OC
InChIInChI=1S/C15H23NO5/c1-11-4-5-13(14(8-11)20-3)21-10-15(18)16-7-6-12(17)9-19-2/h4-5,8,12,17H,6-7,9-10H2,1-3H3,(H,16,18)
InChIKeyNOXZAXZFZMNVHX-UHFFFAOYSA-N
XLogP0.90
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dichlorophenoxy)-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 103877357
2-(2-methoxy-4-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115699567
2-(2-methoxy-4-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide
CID 115628343
2-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]-N-(2-methoxyethyl)acetamide
CID 78933862
2-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]acetamide
CID 60666680
2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 2627667
4-[2-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]ethyl]benzoic acid
CID 45347313
N-(3-hydroxypentyl)-2-(2-methoxyphenoxy)acetamide
CID 115703728
N-[3-(2-fluorophenoxy)propyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18120320
2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 60728745
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 78931398
N-(3-hydroxy-4-methoxybutyl)-3-(4-methylphenoxy)propanamide
CID 103877644

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methoxybutyl)-2-(2-methoxy-4-methylphenoxy)acetamide?
The IUPAC name of N-(3-hydroxy-4-methoxybutyl)-2-(2-methoxy-4-methylphenoxy)acetamide (CID 103876701) is N-(3-hydroxy-4-methoxybutyl)-2-(2-methoxy-4-methylphenoxy)acetamide.
What is the SMILES notation for N-(3-hydroxy-4-methoxybutyl)-2-(2-methoxy-4-methylphenoxy)acetamide?
The canonical SMILES for N-(3-hydroxy-4-methoxybutyl)-2-(2-methoxy-4-methylphenoxy)acetamide is COCC(O)CCNC(=O)COc1ccc(C)cc1OC.
What is the InChIKey of N-(3-hydroxy-4-methoxybutyl)-2-(2-methoxy-4-methylphenoxy)acetamide?
The InChIKey is NOXZAXZFZMNVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c1-11-4-5-13(14(8-11)20-3)21-10-15(18)16-7-6-12(17)9-19-2/h4-5,8,12,17H,6-7,9-10H2,1-3H3,(H,16,18).
What are the key properties of N-(3-hydroxy-4-methoxybutyl)-2-(2-methoxy-4-methylphenoxy)acetamide?
N-(3-hydroxy-4-methoxybutyl)-2-(2-methoxy-4-methylphenoxy)acetamide has a molecular weight of 297.35 g/mol, XLogP of 0.90, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methoxybutyl)-2-(2-methoxy-4-methylphenoxy)acetamide is sourced from PubChem (CID 103876701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).