2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide

C16H24ClN3O2 — CID 9289324

IUPAC2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CC(=O)Nc1c(C)cc(C)cc1Cl
InChIInChI=1S/C16H24ClN3O2/c1-5-6-18-14(21)9-20(4)10-15(22)19-16-12(3)7-11(2)8-13(16)17/h7-8H,5-6,9-10H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyKABOMUFIWHYUFT-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.35
Rot. Bonds7

About 2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide

2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide (PubChem CID 9289324) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is 2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
PubChem CID9289324
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC Name2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CC(=O)Nc1c(C)cc(C)cc1Cl
InChIInChI=1S/C16H24ClN3O2/c1-5-6-18-14(21)9-20(4)10-15(22)19-16-12(3)7-11(2)8-13(16)17/h7-8H,5-6,9-10H2,1-4H3,(H,18,21)(H,19,22)
InChIKeyKABOMUFIWHYUFT-UHFFFAOYSA-N
XLogP2.35
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302865
2-[2-aminoethyl(methyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 62687923
2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931
N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]butanamide
CID 112998242
N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]amino]acetamide
CID 26600333
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 9338949
2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9198306
2-bromo-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 81223490
N-(2-chloro-4,6-dimethylphenyl)-2-(methylamino)acetamide
CID 83537406
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302931
2-[[2-oxo-2-(2,4,6-trichloroanilino)ethyl]-propylamino]-N-propylacetamide
CID 87018436
N-(2,3-dichlorophenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 9339279

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide?
The IUPAC name of 2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide (CID 9289324) is 2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)CC(=O)Nc1c(C)cc(C)cc1Cl.
What is the InChIKey of 2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide?
The InChIKey is KABOMUFIWHYUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2/c1-5-6-18-14(21)9-20(4)10-15(22)19-16-12(3)7-11(2)8-13(16)17/h7-8H,5-6,9-10H2,1-4H3,(H,18,21)(H,19,22).
What are the key properties of 2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide?
2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide has a molecular weight of 325.84 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide is sourced from PubChem (CID 9289324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).