3-[[2-(5-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide

C15H24N4O2 — CID 106914827

IUPAC3-[[2-(5-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)CC(=O)Nc1cc(N)ccc1C
InChIInChI=1S/C15H24N4O2/c1-10-5-6-12(16)7-13(10)18-14(20)9-19(4)8-11(2)15(21)17-3/h5-7,11H,8-9,16H2,1-4H3,(H,17,21)(H,18,20)
InChIKeyXFHUMDBWOOAHFZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.83
Rot. Bonds6

About 3-[[2-(5-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide

3-[[2-(5-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide (PubChem CID 106914827) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[[2-(5-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[2-(5-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide
PubChem CID106914827
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-[[2-(5-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)CC(=O)Nc1cc(N)ccc1C
InChIInChI=1S/C15H24N4O2/c1-10-5-6-12(16)7-13(10)18-14(20)9-19(4)8-11(2)15(21)17-3/h5-7,11H,8-9,16H2,1-4H3,(H,17,21)(H,18,20)
InChIKeyXFHUMDBWOOAHFZ-UHFFFAOYSA-N
XLogP0.83
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-methylphenyl)-3-[methyl(2-methylpropyl)amino]propanamide
CID 43271733
3-[[3-(5-amino-2-methylanilino)-3-oxopropyl]-methylamino]-N-methylpropanamide
CID 106914620
N-(5-amino-2-methylphenyl)-2-[methyl(pentyl)amino]acetamide
CID 43294488
2-[[2-(4-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43374519
N-(5-amino-2-methylphenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide
CID 43568692
N-(5-amino-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
CID 61426561
3-[(5-amino-2-hydroxyphenyl)methyl-methylamino]-N,2-dimethylpropanamide
CID 106914812
3-[[2-(4-amino-N-methylanilino)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide
CID 106914693
N-(5-amino-2-methylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 43526619
N-(5-amino-2-chlorophenyl)-2-[2-cyanopropyl(methyl)amino]acetamide
CID 54992924
N-(5-amino-2-chlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
CID 43376037
methyl 3-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 62013625

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(5-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[[2-(5-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide (CID 106914827) is 3-[[2-(5-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[[2-(5-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[[2-(5-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)CC(=O)Nc1cc(N)ccc1C.
What is the InChIKey of 3-[[2-(5-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide?
The InChIKey is XFHUMDBWOOAHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-10-5-6-12(16)7-13(10)18-14(20)9-19(4)8-11(2)15(21)17-3/h5-7,11H,8-9,16H2,1-4H3,(H,17,21)(H,18,20).
What are the key properties of 3-[[2-(5-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide?
3-[[2-(5-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide has a molecular weight of 292.38 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(5-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 106914827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).