2-(2,4-dimethylanilino)-N-prop-2-enylacetamide

C13H18N2O — CID 39243861

IUPAC2-(2,4-dimethylanilino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNc1ccc(C)cc1C
InChIInChI=1S/C13H18N2O/c1-4-7-14-13(16)9-15-12-6-5-10(2)8-11(12)3/h4-6,8,15H,1,7,9H2,2-3H3,(H,14,16)
InChIKeyLDTDHWNQPWUUFY-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.02
Rot. Bonds5

About 2-(2,4-dimethylanilino)-N-prop-2-enylacetamide

2-(2,4-dimethylanilino)-N-prop-2-enylacetamide (PubChem CID 39243861) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)-N-prop-2-enylacetamide
PubChem CID39243861
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-(2,4-dimethylanilino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNc1ccc(C)cc1C
InChIInChI=1S/C13H18N2O/c1-4-7-14-13(16)9-15-12-6-5-10(2)8-11(12)3/h4-6,8,15H,1,7,9H2,2-3H3,(H,14,16)
InChIKeyLDTDHWNQPWUUFY-UHFFFAOYSA-N
XLogP2.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-N-prop-2-enylaniline
CID 11768869
2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-prop-2-enylacetamide
CID 9442218
2-[2-(3-methylphenoxy)anilino]-N-prop-2-enylacetamide
CID 17393792
methyl 2-(2,4-dimethylanilino)acetate
CID 28564487
4-[[2-(2,4-dimethylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54811628
2-(2,4-dimethylanilino)-N-[(Z)-(2,4-dimethylphenyl)methylideneamino]acetamide
CID 5419156
2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide
CID 42026326
N-(2,4-dimethylphenyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 9100979
2-(2,4-dimethylanilino)-N-(4-ethoxyphenyl)acetamide
CID 9081080
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2,4-dimethylanilino)acetamide
CID 109006978
2-(2,4-dimethylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54811586
(E)-N'-[2-(2,4-dimethylanilino)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide
CID 9432686

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)-N-prop-2-enylacetamide?
The IUPAC name of 2-(2,4-dimethylanilino)-N-prop-2-enylacetamide (CID 39243861) is 2-(2,4-dimethylanilino)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(2,4-dimethylanilino)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(2,4-dimethylanilino)-N-prop-2-enylacetamide is C=CCNC(=O)CNc1ccc(C)cc1C.
What is the InChIKey of 2-(2,4-dimethylanilino)-N-prop-2-enylacetamide?
The InChIKey is LDTDHWNQPWUUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-4-7-14-13(16)9-15-12-6-5-10(2)8-11(12)3/h4-6,8,15H,1,7,9H2,2-3H3,(H,14,16).
What are the key properties of 2-(2,4-dimethylanilino)-N-prop-2-enylacetamide?
2-(2,4-dimethylanilino)-N-prop-2-enylacetamide has a molecular weight of 218.30 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylanilino)-N-prop-2-enylacetamide is sourced from PubChem (CID 39243861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).