2-[[2-(4-acetamidoanilino)-2-oxoethyl]-methylamino]-N-propylacetamide

C16H24N4O3 — CID 9302973

IUPAC2-[[2-(4-acetamidoanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C16H24N4O3/c1-4-9-17-15(22)10-20(3)11-16(23)19-14-7-5-13(6-8-14)18-12(2)21/h5-8H,4,9-11H2,1-3H3,(H,17,22)(H,18,21)(H,19,23)
InChIKeyMSBFFXMLQZYXQJ-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.04
Rot. Bonds8

About 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-methylamino]-N-propylacetamide

2-[[2-(4-acetamidoanilino)-2-oxoethyl]-methylamino]-N-propylacetamide (PubChem CID 9302973) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-(4-acetamidoanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
PubChem CID9302973
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name2-[[2-(4-acetamidoanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C16H24N4O3/c1-4-9-17-15(22)10-20(3)11-16(23)19-14-7-5-13(6-8-14)18-12(2)21/h5-8H,4,9-11H2,1-3H3,(H,17,22)(H,18,21)(H,19,23)
InChIKeyMSBFFXMLQZYXQJ-UHFFFAOYSA-N
XLogP1.04
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302931
N,N-dimethyl-4-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]acetyl]amino]benzamide
CID 9302751
2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-propylacetamide
CID 8816242
2-[[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide
CID 18083018
2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302865
2-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-propylacetamide
CID 9302823
2-[[2-(3-acetamidoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 17431317
N-(4-acetamidophenyl)-2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]acetamide
CID 31390122
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302840
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide
CID 18078825
2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302951
2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-propylacetamide
CID 40717922

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-methylamino]-N-propylacetamide?
The IUPAC name of 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-methylamino]-N-propylacetamide (CID 9302973) is 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)CC(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-methylamino]-N-propylacetamide?
The InChIKey is MSBFFXMLQZYXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-4-9-17-15(22)10-20(3)11-16(23)19-14-7-5-13(6-8-14)18-12(2)21/h5-8H,4,9-11H2,1-3H3,(H,17,22)(H,18,21)(H,19,23).
What are the key properties of 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-methylamino]-N-propylacetamide?
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-methylamino]-N-propylacetamide has a molecular weight of 320.39 g/mol, XLogP of 1.04, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-acetamidoanilino)-2-oxoethyl]-methylamino]-N-propylacetamide is sourced from PubChem (CID 9302973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).