2-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-propylacetamide

C15H23N3O2 — CID 9302823

IUPAC2-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CC(=O)Nc1ccccc1C
InChIInChI=1S/C15H23N3O2/c1-4-9-16-14(19)10-18(3)11-15(20)17-13-8-6-5-7-12(13)2/h5-8H,4,9-11H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyGNIKWKAQTHADGO-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.39
Rot. Bonds7

About 2-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-propylacetamide

2-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-propylacetamide (PubChem CID 9302823) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-propylacetamide
PubChem CID9302823
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CC(=O)Nc1ccccc1C
InChIInChI=1S/C15H23N3O2/c1-4-9-16-14(19)10-18(3)11-15(20)17-13-8-6-5-7-12(13)2/h5-8H,4,9-11H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyGNIKWKAQTHADGO-UHFFFAOYSA-N
XLogP1.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[(2-methylphenyl)methyl]amino]-N-propylacetamide
CID 47006716
2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302951
N-ethyl-2-[ethyl-[2-(2-methylanilino)-2-oxoethyl]amino]acetamide
CID 9432874
ethyl 3-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]propanoate
CID 62012599
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302973
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-phenylpropyl)acetamide
CID 40717867
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302840
2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302865
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-prop-2-ynylacetamide
CID 8810170
N-[2-(4-fluorophenyl)ethyl]-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 9039149
2-(dibutylamino)-N-(2-methylphenyl)acetamide;hydrochloride
CID 3026049
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-ethylacetamide
CID 47104711

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-propylacetamide?
The IUPAC name of 2-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-propylacetamide (CID 9302823) is 2-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-propylacetamide is CCCNC(=O)CN(C)CC(=O)Nc1ccccc1C.
What is the InChIKey of 2-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-propylacetamide?
The InChIKey is GNIKWKAQTHADGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-9-16-14(19)10-18(3)11-15(20)17-13-8-6-5-7-12(13)2/h5-8H,4,9-11H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of 2-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-propylacetamide?
2-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-propylacetamide has a molecular weight of 277.37 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(2-methylanilino)-2-oxoethyl]amino]-N-propylacetamide is sourced from PubChem (CID 9302823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).