3-(4-ethylphenyl)-N-[2-(hydroxymethyl)phenyl]propanamide

C18H21NO2 — CID 61497838

IUPAC3-(4-ethylphenyl)-N-[2-(hydroxymethyl)phenyl]propanamide
SMILESCCc1ccc(CCC(=O)Nc2ccccc2CO)cc1
InChIInChI=1S/C18H21NO2/c1-2-14-7-9-15(10-8-14)11-12-18(21)19-17-6-4-3-5-16(17)13-20/h3-10,20H,2,11-13H2,1H3,(H,19,21)
InChIKeyBTKQJWGQQFMYHA-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.31
Rot. Bonds6

About 3-(4-ethylphenyl)-N-[2-(hydroxymethyl)phenyl]propanamide

3-(4-ethylphenyl)-N-[2-(hydroxymethyl)phenyl]propanamide (PubChem CID 61497838) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-N-[2-(hydroxymethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-ethylphenyl)-N-[2-(hydroxymethyl)phenyl]propanamide
PubChem CID61497838
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name3-(4-ethylphenyl)-N-[2-(hydroxymethyl)phenyl]propanamide
SMILESCCc1ccc(CCC(=O)Nc2ccccc2CO)cc1
InChIInChI=1S/C18H21NO2/c1-2-14-7-9-15(10-8-14)11-12-18(21)19-17-6-4-3-5-16(17)13-20/h3-10,20H,2,11-13H2,1H3,(H,19,21)
InChIKeyBTKQJWGQQFMYHA-UHFFFAOYSA-N
XLogP3.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,2-dimethylpropyl)phenyl]-3-phenylpropanamide
CID 59836533
N-(2-ethylphenyl)-3-(2-phenylethylamino)propanamide
CID 109024292
N-[2-(aminomethyl)phenyl]-3-(4-methylphenyl)propanamide
CID 63753752
2-(4-ethoxyphenyl)-N-[2-(hydroxymethyl)phenyl]acetamide
CID 60653646
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
3-phenyl-N-[5-(3-phenylpropanoylamino)naphthalen-1-yl]propanamide
CID 1010239
N-[2-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide
CID 60653327
3-(4-ethylphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 41467944
2-[2-(3-pyridin-4-ylpropanoylamino)phenyl]acetic acid
CID 81455570
ethane;N-[2-(hydroxymethyl)phenyl]acetamide
CID 91162619
N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride
CID 142950008
2-[4-[3-(4-ethylphenyl)propanoylamino]phenyl]acetic acid
CID 45346474

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-N-[2-(hydroxymethyl)phenyl]propanamide?
The IUPAC name of 3-(4-ethylphenyl)-N-[2-(hydroxymethyl)phenyl]propanamide (CID 61497838) is 3-(4-ethylphenyl)-N-[2-(hydroxymethyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-ethylphenyl)-N-[2-(hydroxymethyl)phenyl]propanamide?
The canonical SMILES for 3-(4-ethylphenyl)-N-[2-(hydroxymethyl)phenyl]propanamide is CCc1ccc(CCC(=O)Nc2ccccc2CO)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-N-[2-(hydroxymethyl)phenyl]propanamide?
The InChIKey is BTKQJWGQQFMYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-14-7-9-15(10-8-14)11-12-18(21)19-17-6-4-3-5-16(17)13-20/h3-10,20H,2,11-13H2,1H3,(H,19,21).
What are the key properties of 3-(4-ethylphenyl)-N-[2-(hydroxymethyl)phenyl]propanamide?
3-(4-ethylphenyl)-N-[2-(hydroxymethyl)phenyl]propanamide has a molecular weight of 283.37 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-N-[2-(hydroxymethyl)phenyl]propanamide is sourced from PubChem (CID 61497838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).