N-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide

C13H19N3O2 — CID 54950375

IUPACN-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide
SMILESCNC(=O)C(C)NCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C13H19N3O2/c1-9-5-4-6-11(7-9)16-12(17)8-15-10(2)13(18)14-3/h4-7,10,15H,8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyOSMJEACIZZUSGA-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.66
Rot. Bonds5

About N-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide

N-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide (PubChem CID 54950375) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound NameN-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide
PubChem CID54950375
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide
SMILESCNC(=O)C(C)NCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C13H19N3O2/c1-9-5-4-6-11(7-9)16-12(17)8-15-10(2)13(18)14-3/h4-7,10,15H,8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyOSMJEACIZZUSGA-UHFFFAOYSA-N
XLogP0.66
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467219
2-[[(2S)-butan-2-yl]amino]-N-(3-methylphenyl)acetamide
CID 2386923
2-(6-methylheptan-2-ylamino)-N-(3-methylphenyl)acetamide
CID 60647450
N-(3-methylphenyl)-2-(pentan-2-ylamino)acetamide
CID 43179547
2-(1-cyclopropylethylamino)-N-(3-methylphenyl)acetamide
CID 43401776
2-(but-3-yn-2-ylamino)-N-(3-methylphenyl)acetamide
CID 114416946
2-[(4-hydroxy-3-methylbutan-2-yl)amino]-N-(3-methylphenyl)acetamide
CID 104696391
2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-ethylpropanamide
CID 60696138
(2S)-2-(methylamino)-N-(3-methylphenyl)propanamide
CID 59393630
(2S)-N-(3-methylphenyl)-2-(propylamino)propanamide
CID 76957050
N-(3-methylphenyl)-2-(propylamino)propanamide
CID 71772237
(2R)-N-(3-methylphenyl)-2-(propylamino)propanamide
CID 76957051

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide?
The IUPAC name of N-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide (CID 54950375) is N-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for N-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide?
The canonical SMILES for N-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide is CNC(=O)C(C)NCC(=O)Nc1cccc(C)c1.
What is the InChIKey of N-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide?
The InChIKey is OSMJEACIZZUSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-5-4-6-11(7-9)16-12(17)8-15-10(2)13(18)14-3/h4-7,10,15H,8H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of N-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide?
N-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide has a molecular weight of 249.31 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 54950375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).