2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-prop-2-enylacetamide

C17H25N3O3 — CID 27239631

IUPAC2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(CCC)CC(=O)Nc1ccccc1OC
InChIInChI=1S/C17H25N3O3/c1-4-10-18-16(21)12-20(11-5-2)13-17(22)19-14-8-6-7-9-15(14)23-3/h4,6-9H,1,5,10-13H2,2-3H3,(H,18,21)(H,19,22)
InChIKeyYTSRSRATNDAFTK-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.65
Rot. Bonds10

About 2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-prop-2-enylacetamide

2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-prop-2-enylacetamide (PubChem CID 27239631) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-prop-2-enylacetamide
PubChem CID27239631
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(CCC)CC(=O)Nc1ccccc1OC
InChIInChI=1S/C17H25N3O3/c1-4-10-18-16(21)12-20(11-5-2)13-17(22)19-14-8-6-7-9-15(14)23-3/h4,6-9H,1,5,10-13H2,2-3H3,(H,18,21)(H,19,22)
InChIKeyYTSRSRATNDAFTK-UHFFFAOYSA-N
XLogP1.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 9168900
2-[hexyl(propyl)amino]-N-(2-methoxyphenyl)acetamide
CID 78820994
3-[[2-(2-methoxyanilino)-2-oxoethyl]-prop-2-enylamino]propanoic acid
CID 82326650
N-(1-adamantylmethyl)-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 9168519
2-[[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide
CID 78818986
2-[bis(2-hydroxyethyl)amino]-N-(2-methoxyphenyl)acetamide
CID 18870897
N-cyclooctyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 27098874
2-[azetidin-3-yl(propyl)amino]-N-(2-methoxyphenyl)acetamide
CID 66216109
2-[acetyl(prop-2-enyl)amino]-N-(2-methoxyphenyl)acetamide
CID 84571235
N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 9029924
2-[butyl(methyl)amino]-N-(2-methoxyphenyl)acetamide
CID 109006138
N-(2-methoxyphenyl)-2-[propyl-[(2,4,5-trioxo-3-propylimidazolidin-1-yl)methyl]amino]acetamide
CID 9243894

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-prop-2-enylacetamide?
The IUPAC name of 2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-prop-2-enylacetamide (CID 27239631) is 2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-prop-2-enylacetamide is C=CCNC(=O)CN(CCC)CC(=O)Nc1ccccc1OC.
What is the InChIKey of 2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-prop-2-enylacetamide?
The InChIKey is YTSRSRATNDAFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-4-10-18-16(21)12-20(11-5-2)13-17(22)19-14-8-6-7-9-15(14)23-3/h4,6-9H,1,5,10-13H2,2-3H3,(H,18,21)(H,19,22).
What are the key properties of 2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-prop-2-enylacetamide?
2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-prop-2-enylacetamide has a molecular weight of 319.41 g/mol, XLogP of 1.65, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-prop-2-enylacetamide is sourced from PubChem (CID 27239631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).