3-(2,4-dimethylphenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide

C20H25NO3 — CID 110889436

IUPAC3-(2,4-dimethylphenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(C(O)CNC(=O)CCc2ccc(C)cc2C)cc1
InChIInChI=1S/C20H25NO3/c1-14-4-5-16(15(2)12-14)8-11-20(23)21-13-19(22)17-6-9-18(24-3)10-7-17/h4-7,9-10,12,19,22H,8,11,13H2,1-3H3,(H,21,23)
InChIKeyARRDGTUICCGKHG-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.09
Rot. Bonds7

About 3-(2,4-dimethylphenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide

3-(2,4-dimethylphenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 110889436) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide
PubChem CID110889436
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name3-(2,4-dimethylphenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(C(O)CNC(=O)CCc2ccc(C)cc2C)cc1
InChIInChI=1S/C20H25NO3/c1-14-4-5-16(15(2)12-14)8-11-20(23)21-13-19(22)17-6-9-18(24-3)10-7-17/h4-7,9-10,12,19,22H,8,11,13H2,1-3H3,(H,21,23)
InChIKeyARRDGTUICCGKHG-UHFFFAOYSA-N
XLogP3.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
CID 78866814
3-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18129621
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(2-methylphenyl)propanamide
CID 110663371
N-(3-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)propanamide
CID 119995938
4-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]butanamide;hydrochloride
CID 119293246
3-[3-(2,4-dimethylphenyl)propanoylamino]-2-phenylpropanoic acid
CID 119254764
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 110889479
7-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]heptanamide
CID 119730561
N-[2-(dimethylamino)-3-phenylpropyl]-3-(2,4-dimethylphenyl)propanamide
CID 24639990
[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
CID 137321016
3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide
CID 119430140
3-(2,4-dimethylphenyl)-N-(3-hydroxy-4-methylpentyl)propanamide
CID 111461043

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(2,4-dimethylphenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide (CID 110889436) is 3-(2,4-dimethylphenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide is COc1ccc(C(O)CNC(=O)CCc2ccc(C)cc2C)cc1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is ARRDGTUICCGKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-14-4-5-16(15(2)12-14)8-11-20(23)21-13-19(22)17-6-9-18(24-3)10-7-17/h4-7,9-10,12,19,22H,8,11,13H2,1-3H3,(H,21,23).
What are the key properties of 3-(2,4-dimethylphenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide?
3-(2,4-dimethylphenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 327.42 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 110889436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).