2-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-prop-2-enylacetamide

C15H21NO2 — CID 115775942

IUPAC2-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-prop-2-enylacetamide
SMILESC=CCN(CCO)C(=O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C15H21NO2/c1-4-7-16(8-9-17)15(18)11-14-6-5-12(2)13(3)10-14/h4-6,10,17H,1,7-9,11H2,2-3H3
InChIKeyGYQMSBCXMNMFSE-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.85
Rot. Bonds6

About 2-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-prop-2-enylacetamide

2-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-prop-2-enylacetamide (PubChem CID 115775942) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-prop-2-enylacetamide
PubChem CID115775942
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-prop-2-enylacetamide
SMILESC=CCN(CCO)C(=O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C15H21NO2/c1-4-7-16(8-9-17)15(18)11-14-6-5-12(2)13(3)10-14/h4-6,10,17H,1,7-9,11H2,2-3H3
InChIKeyGYQMSBCXMNMFSE-UHFFFAOYSA-N
XLogP1.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-Hydroxyethyl)-alpha-methyl-4-(2-methylpropyl)benzeneacetamide
CID 71261
2-(3-Methylphenyl)-1-morpholin-4-ylethanone
CID 6470636
4-[(2,6-Dimethylphenyl)acetyl]morpholine
CID 839325
2-(2-Methylphenyl)-1-morpholin-4-ylethanone
CID 6468639
N-(2-hydroxyethyl)-N-methyl-2,2-diphenylacetamide
CID 921388
Benzamide, N,N-diethyl-2,4-dimethyl-
CID 41198
N-(2-hydroxyethyl)-2,2-diphenyl-N-(propan-2-yl)acetamide
CID 659521
N-ethyl-N-(2-hydroxyethyl)-2,2-diphenylacetamide
CID 921277
1-(Morpholin-4-yl)-2-(4-pentylphenyl)ethanone
CID 3910107
2-(4-Isobutylphenyl)-1-morpholinopropan-1-one
CID 2850328
1-Morpholin-4-yl-2-p-tolyl-ethanone
CID 270308
E-5050
CID 129506

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-prop-2-enylacetamide (CID 115775942) is 2-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-prop-2-enylacetamide is C=CCN(CCO)C(=O)Cc1ccc(C)c(C)c1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-prop-2-enylacetamide?
The InChIKey is GYQMSBCXMNMFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-7-16(8-9-17)15(18)11-14-6-5-12(2)13(3)10-14/h4-6,10,17H,1,7-9,11H2,2-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-prop-2-enylacetamide?
2-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-prop-2-enylacetamide has a molecular weight of 247.34 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-prop-2-enylacetamide is sourced from PubChem (CID 115775942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).