N-(3-hydroxy-3-phenylpropyl)-2-(4-methylphenoxy)acetamide

C18H21NO3 — CID 71689998

IUPACN-(3-hydroxy-3-phenylpropyl)-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCCC(O)c2ccccc2)cc1
InChIInChI=1S/C18H21NO3/c1-14-7-9-16(10-8-14)22-13-18(21)19-12-11-17(20)15-5-3-2-4-6-15/h2-10,17,20H,11-13H2,1H3,(H,19,21)
InChIKeyWMUSEFOWKZUEQA-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.61
Rot. Bonds7

About N-(3-hydroxy-3-phenylpropyl)-2-(4-methylphenoxy)acetamide

N-(3-hydroxy-3-phenylpropyl)-2-(4-methylphenoxy)acetamide (PubChem CID 71689998) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(3-hydroxy-3-phenylpropyl)-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-phenylpropyl)-2-(4-methylphenoxy)acetamide
PubChem CID71689998
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-(3-hydroxy-3-phenylpropyl)-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCCC(O)c2ccccc2)cc1
InChIInChI=1S/C18H21NO3/c1-14-7-9-16(10-8-14)22-13-18(21)19-12-11-17(20)15-5-3-2-4-6-15/h2-10,17,20H,11-13H2,1H3,(H,19,21)
InChIKeyWMUSEFOWKZUEQA-UHFFFAOYSA-N
XLogP2.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-3-hydroxy-3-phenylpropyl]-2-(2-methylphenoxy)acetamide
CID 96568300
2-ethoxy-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111472051
N-(3-methylbutyl)-2-phenoxyacetamide
CID 2905656
N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-2-phenoxyacetamide
CID 21426688
1-(3-hydroxy-3-phenylpropyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 111506398
N-[2-(4-methylphenyl)sulfanylethyl]-2-phenoxyacetamide
CID 3117798
N-(3-hydroxy-3-phenylpropyl)-2-(4-methoxyphenyl)acetamide
CID 71690034
N-(3,3-diphenylpropyl)-2-(4-propanoylphenoxy)acetamide
CID 7935611
4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
CID 4615382
N'-[2-(4-methylphenoxy)acetyl]-2,2-diphenylacetohydrazide
CID 4635694
N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]-4-phenylbenzamide
CID 108538441
N-[2-[2-[[2-(4-methylphenoxy)acetyl]amino]ethylamino]-2-oxoethyl]benzamide
CID 108539308

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-phenylpropyl)-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-(3-hydroxy-3-phenylpropyl)-2-(4-methylphenoxy)acetamide (CID 71689998) is N-(3-hydroxy-3-phenylpropyl)-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-(3-hydroxy-3-phenylpropyl)-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-(3-hydroxy-3-phenylpropyl)-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NCCC(O)c2ccccc2)cc1.
What is the InChIKey of N-(3-hydroxy-3-phenylpropyl)-2-(4-methylphenoxy)acetamide?
The InChIKey is WMUSEFOWKZUEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-14-7-9-16(10-8-14)22-13-18(21)19-12-11-17(20)15-5-3-2-4-6-15/h2-10,17,20H,11-13H2,1H3,(H,19,21).
What are the key properties of N-(3-hydroxy-3-phenylpropyl)-2-(4-methylphenoxy)acetamide?
N-(3-hydroxy-3-phenylpropyl)-2-(4-methylphenoxy)acetamide has a molecular weight of 299.37 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-phenylpropyl)-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 71689998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).