2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide

C16H25N3O2 — CID 9302865

IUPAC2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CC(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C16H25N3O2/c1-5-6-17-15(20)10-19(4)11-16(21)18-14-8-12(2)7-13(3)9-14/h7-9H,5-6,10-11H2,1-4H3,(H,17,20)(H,18,21)
InChIKeyZLDIPEQKXNCMCQ-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.70
Rot. Bonds7

About 2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide

2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide (PubChem CID 9302865) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
PubChem CID9302865
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CC(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C16H25N3O2/c1-5-6-17-15(20)10-19(4)11-16(21)18-14-8-12(2)7-13(3)9-14/h7-9H,5-6,10-11H2,1-4H3,(H,17,20)(H,18,21)
InChIKeyZLDIPEQKXNCMCQ-UHFFFAOYSA-N
XLogP1.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-acetamidoanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302973
2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9289324
2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302951
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-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-propylacetamide
CID 40717922
2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 9304031
2-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-propylacetamide
CID 9302823
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-(5-amino-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 61450515
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302840

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide?
The IUPAC name of 2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide (CID 9302865) is 2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)CC(=O)Nc1cc(C)cc(C)c1.
What is the InChIKey of 2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide?
The InChIKey is ZLDIPEQKXNCMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-5-6-17-15(20)10-19(4)11-16(21)18-14-8-12(2)7-13(3)9-14/h7-9H,5-6,10-11H2,1-4H3,(H,17,20)(H,18,21).
What are the key properties of 2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide?
2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide has a molecular weight of 291.40 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide is sourced from PubChem (CID 9302865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).