2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-phenylacetamide

C20H25N3O2 — CID 9038815

IUPAC2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-phenylacetamide
SMILESCCCN(CC(=O)Nc1ccccc1)CC(=O)Nc1ccccc1C
InChIInChI=1S/C20H25N3O2/c1-3-13-23(14-19(24)21-17-10-5-4-6-11-17)15-20(25)22-18-12-8-7-9-16(18)2/h4-12H,3,13-15H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyBMJMKZIBTDAAJF-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.28
Rot. Bonds8

About 2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-phenylacetamide

2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-phenylacetamide (PubChem CID 9038815) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-phenylacetamide
PubChem CID9038815
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-phenylacetamide
SMILESCCCN(CC(=O)Nc1ccccc1)CC(=O)Nc1ccccc1C
InChIInChI=1S/C20H25N3O2/c1-3-13-23(14-19(24)21-17-10-5-4-6-11-17)15-20(25)22-18-12-8-7-9-16(18)2/h4-12H,3,13-15H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyBMJMKZIBTDAAJF-UHFFFAOYSA-N
XLogP3.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 9038956
N-(3-cyanophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 9038792
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-prop-2-ynylacetamide
CID 8810170
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592918
2-[[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 9038968
2-(dibutylamino)-N-(2-methylphenyl)acetamide;hydrochloride
CID 3026049
2-[[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 78787950
N-(2-methylphenyl)-2-[(4-methylsulfanylphenyl)methyl-propylamino]acetamide
CID 8810074
N-[2-(4-fluorophenyl)ethyl]-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 9039149
2-[butyl(2-hydroxyethyl)amino]-N-(2-methylphenyl)acetamide
CID 60688995
2-[(2-bromo-4-fluorophenyl)methyl-propylamino]-N-(2-methylphenyl)acetamide
CID 30794360
2-[[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 78816919

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-phenylacetamide?
The IUPAC name of 2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-phenylacetamide (CID 9038815) is 2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-phenylacetamide.
What is the SMILES notation for 2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-phenylacetamide?
The canonical SMILES for 2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-phenylacetamide is CCCN(CC(=O)Nc1ccccc1)CC(=O)Nc1ccccc1C.
What is the InChIKey of 2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-phenylacetamide?
The InChIKey is BMJMKZIBTDAAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-13-23(14-19(24)21-17-10-5-4-6-11-17)15-20(25)22-18-12-8-7-9-16(18)2/h4-12H,3,13-15H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-phenylacetamide?
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-phenylacetamide has a molecular weight of 339.44 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-phenylacetamide is sourced from PubChem (CID 9038815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).