2-(N-acetyl-2,5-dimethylanilino)-N-prop-2-enylacetamide

C15H20N2O2 — CID 113168044

IUPAC2-(N-acetyl-2,5-dimethylanilino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(C(C)=O)c1cc(C)ccc1C
InChIInChI=1S/C15H20N2O2/c1-5-8-16-15(19)10-17(13(4)18)14-9-11(2)6-7-12(14)3/h5-7,9H,1,8,10H2,2-4H3,(H,16,19)
InChIKeyDVLYMCAIHZLUBF-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.96
Rot. Bonds5

About 2-(N-acetyl-2,5-dimethylanilino)-N-prop-2-enylacetamide

2-(N-acetyl-2,5-dimethylanilino)-N-prop-2-enylacetamide (PubChem CID 113168044) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(N-acetyl-2,5-dimethylanilino)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,5-dimethylanilino)-N-prop-2-enylacetamide
PubChem CID113168044
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(N-acetyl-2,5-dimethylanilino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(C(C)=O)c1cc(C)ccc1C
InChIInChI=1S/C15H20N2O2/c1-5-8-16-15(19)10-17(13(4)18)14-9-11(2)6-7-12(14)3/h5-7,9H,1,8,10H2,2-4H3,(H,16,19)
InChIKeyDVLYMCAIHZLUBF-UHFFFAOYSA-N
XLogP1.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.96
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

2-(N-acetyl-2,4,6-trimethylanilino)-N-prop-2-enylacetamide
CID 113169920
2-(N-acetyl-3-bromo-4-methylanilino)-N-prop-2-enylacetamide
CID 113173028
2-(N-acetyl-2,6-dimethylanilino)-N-prop-2-enylacetamide
CID 113168626
2-(N-acetyl-2,5-dimethylanilino)-N-phenylacetamide
CID 113168130
2-(N-acetyl-3-chloro-2-methylanilino)-N-prop-2-enylacetamide
CID 113171662
2-(N-acetyl-2,3-dichloroanilino)-N-prop-2-enylacetamide
CID 113180076
2-(N-acetyl-5-chloro-2-methylanilino)-N-(4-methylphenyl)acetamide
CID 113171908
2-(N-acetyl-5-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 113171843
2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-prop-2-enylacetamide
CID 113180210
2-(N-acetyl-2,5-dimethylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113168161
2-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 113167944
2-(N-acetyl-2-bromo-4-methylanilino)-N-propylacetamide
CID 113177979

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,5-dimethylanilino)-N-prop-2-enylacetamide?
The IUPAC name of 2-(N-acetyl-2,5-dimethylanilino)-N-prop-2-enylacetamide (CID 113168044) is 2-(N-acetyl-2,5-dimethylanilino)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(N-acetyl-2,5-dimethylanilino)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(N-acetyl-2,5-dimethylanilino)-N-prop-2-enylacetamide is C=CCNC(=O)CN(C(C)=O)c1cc(C)ccc1C.
What is the InChIKey of 2-(N-acetyl-2,5-dimethylanilino)-N-prop-2-enylacetamide?
The InChIKey is DVLYMCAIHZLUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-5-8-16-15(19)10-17(13(4)18)14-9-11(2)6-7-12(14)3/h5-7,9H,1,8,10H2,2-4H3,(H,16,19).
What are the key properties of 2-(N-acetyl-2,5-dimethylanilino)-N-prop-2-enylacetamide?
2-(N-acetyl-2,5-dimethylanilino)-N-prop-2-enylacetamide has a molecular weight of 260.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2,5-dimethylanilino)-N-prop-2-enylacetamide is sourced from PubChem (CID 113168044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).