2-(3-acetamidoanilino)-N-prop-2-enylacetamide

C13H17N3O2 — CID 54831608

IUPAC2-(3-acetamidoanilino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNc1cccc(NC(C)=O)c1
InChIInChI=1S/C13H17N3O2/c1-3-7-14-13(18)9-15-11-5-4-6-12(8-11)16-10(2)17/h3-6,8,15H,1,7,9H2,2H3,(H,14,18)(H,16,17)
InChIKeyJYNMHTHZAWKQHK-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.36
Rot. Bonds6

About 2-(3-acetamidoanilino)-N-prop-2-enylacetamide

2-(3-acetamidoanilino)-N-prop-2-enylacetamide (PubChem CID 54831608) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(3-acetamidoanilino)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(3-acetamidoanilino)-N-prop-2-enylacetamide
PubChem CID54831608
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-(3-acetamidoanilino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNc1cccc(NC(C)=O)c1
InChIInChI=1S/C13H17N3O2/c1-3-7-14-13(18)9-15-11-5-4-6-12(8-11)16-10(2)17/h3-6,8,15H,1,7,9H2,2H3,(H,14,18)(H,16,17)
InChIKeyJYNMHTHZAWKQHK-UHFFFAOYSA-N
XLogP1.36
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]propanamide
CID 54831655
N-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]benzamide
CID 54839094
3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide
CID 54842423
2-(3-acetamidoanilino)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54831803
2-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 108995310
N,N-diethyl-3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide
CID 54832875
2-(3-acetamidoanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 37176536
2-[3-(2-methylpropoxy)anilino]-N-prop-2-enylacetamide
CID 54823925
N-(3-acetamidophenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821414
N-[3-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]phenyl]hexanamide
CID 54842590
2-(3-phenylmethoxyanilino)-N-prop-2-enylacetamide
CID 54826667
N-(3-acetamidophenyl)-2-(3,5-dimethylanilino)acetamide
CID 39450231

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidoanilino)-N-prop-2-enylacetamide?
The IUPAC name of 2-(3-acetamidoanilino)-N-prop-2-enylacetamide (CID 54831608) is 2-(3-acetamidoanilino)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(3-acetamidoanilino)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(3-acetamidoanilino)-N-prop-2-enylacetamide is C=CCNC(=O)CNc1cccc(NC(C)=O)c1.
What is the InChIKey of 2-(3-acetamidoanilino)-N-prop-2-enylacetamide?
The InChIKey is JYNMHTHZAWKQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-7-14-13(18)9-15-11-5-4-6-12(8-11)16-10(2)17/h3-6,8,15H,1,7,9H2,2H3,(H,14,18)(H,16,17).
What are the key properties of 2-(3-acetamidoanilino)-N-prop-2-enylacetamide?
2-(3-acetamidoanilino)-N-prop-2-enylacetamide has a molecular weight of 247.30 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidoanilino)-N-prop-2-enylacetamide is sourced from PubChem (CID 54831608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).