2-[4-(1-hydroxypropyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide

C19H23NO3 — CID 111439460

IUPAC2-[4-(1-hydroxypropyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide
SMILESCCC(O)c1ccc(OCC(=O)NCc2cccc(C)c2)cc1
InChIInChI=1S/C19H23NO3/c1-3-18(21)16-7-9-17(10-8-16)23-13-19(22)20-12-15-6-4-5-14(2)11-15/h4-11,18,21H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyRFIURUFNONIIRA-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.13
Rot. Bonds7

About 2-[4-(1-hydroxypropyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide

2-[4-(1-hydroxypropyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 111439460) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[4-(1-hydroxypropyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(1-hydroxypropyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide
PubChem CID111439460
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2-[4-(1-hydroxypropyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide
SMILESCCC(O)c1ccc(OCC(=O)NCc2cccc(C)c2)cc1
InChIInChI=1S/C19H23NO3/c1-3-18(21)16-7-9-17(10-8-16)23-13-19(22)20-12-15-6-4-5-14(2)11-15/h4-11,18,21H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyRFIURUFNONIIRA-UHFFFAOYSA-N
XLogP3.13
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 38294492
2-(4-tert-butylphenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 53283091
2-(2,6-dimethylphenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 38294910
N-[(3-ethoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 30384331
N-(2,5-dimethylphenyl)-2-[4-(1-hydroxypropyl)phenoxy]acetamide
CID 110884598
2-[4-[(1S)-1-hydroxypropyl]phenoxy]-N-prop-2-ynylacetamide
CID 78934270
N-(cyanomethyl)-2-[4-[(1S)-1-hydroxypropyl]phenoxy]acetamide
CID 78934153
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(3-methylphenoxy)acetamide
CID 42007165
2-[4-[(1S)-1-hydroxypropyl]phenoxy]-N-(2-methoxyethyl)acetamide
CID 78932114
2-[4-(1-hydroxypropyl)phenoxy]-N-prop-2-enylacetamide
CID 43504554
3-[[[2-(3-methylphenoxy)acetyl]amino]methyl]benzamide
CID 32636546
N'-(4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]propanediamide
CID 108945635

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxypropyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(1-hydroxypropyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide (CID 111439460) is 2-[4-(1-hydroxypropyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(1-hydroxypropyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(1-hydroxypropyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide is CCC(O)c1ccc(OCC(=O)NCc2cccc(C)c2)cc1.
What is the InChIKey of 2-[4-(1-hydroxypropyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is RFIURUFNONIIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-3-18(21)16-7-9-17(10-8-16)23-13-19(22)20-12-15-6-4-5-14(2)11-15/h4-11,18,21H,3,12-13H2,1-2H3,(H,20,22).
What are the key properties of 2-[4-(1-hydroxypropyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide?
2-[4-(1-hydroxypropyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 313.40 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydroxypropyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 111439460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).