2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methoxypropyl)acetamide

C15H23NO4 — CID 63365686

IUPAC2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methoxypropyl)acetamide
SMILESCC[C@@H](O)c1ccc(OCC(=O)NCCCOC)cc1
InChIInChI=1S/C15H23NO4/c1-3-14(17)12-5-7-13(8-6-12)20-11-15(18)16-9-4-10-19-2/h5-8,14,17H,3-4,9-11H2,1-2H3,(H,16,18)/t14-/m1/s1
InChIKeyASRPBMOJLUYLBM-CQSZACIVSA-N
MW281.35 g/mol
LogP1.66
Rot. Bonds9

About 2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methoxypropyl)acetamide

2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methoxypropyl)acetamide (PubChem CID 63365686) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methoxypropyl)acetamide
PubChem CID63365686
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methoxypropyl)acetamide
SMILESCC[C@@H](O)c1ccc(OCC(=O)NCCCOC)cc1
InChIInChI=1S/C15H23NO4/c1-3-14(17)12-5-7-13(8-6-12)20-11-15(18)16-9-4-10-19-2/h5-8,14,17H,3-4,9-11H2,1-2H3,(H,16,18)/t14-/m1/s1
InChIKeyASRPBMOJLUYLBM-CQSZACIVSA-N
XLogP1.66
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methoxyethyl)acetamide
CID 78932114
N-(cyanomethyl)-2-[4-[(1S)-1-hydroxypropyl]phenoxy]acetamide
CID 78934153
2-[4-[(1S)-1-aminopropyl]phenoxy]-N-(2-methoxyethyl)acetamide
CID 78937320
2-[4-[(1S)-1-hydroxypropyl]phenoxy]-N-prop-2-ynylacetamide
CID 78934270
N-(3-methoxypropyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 112991225
2-[4-(1-hydroxypropyl)phenoxy]-N-prop-2-enylacetamide
CID 43504554
2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63365734
N-butyl-2-[4-(1-hydroxyethyl)phenoxy]acetamide
CID 54956588
N-butyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]acetamide
CID 78931016
2-[4-(4-tert-butylphenyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 110407721
2-[3-(1-hydroxyethyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 61486589
2-[4-(4-chlorobenzoyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 51141743

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methoxypropyl)acetamide (CID 63365686) is 2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methoxypropyl)acetamide is CC[C@@H](O)c1ccc(OCC(=O)NCCCOC)cc1.
What is the InChIKey of 2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methoxypropyl)acetamide?
The InChIKey is ASRPBMOJLUYLBM-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23NO4/c1-3-14(17)12-5-7-13(8-6-12)20-11-15(18)16-9-4-10-19-2/h5-8,14,17H,3-4,9-11H2,1-2H3,(H,16,18)/t14-/m1/s1.
What are the key properties of 2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methoxypropyl)acetamide?
2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methoxypropyl)acetamide has a molecular weight of 281.35 g/mol, XLogP of 1.66, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 63365686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).