3-[[3-(5-amino-2-methylanilino)-3-oxopropyl]-methylamino]-N-methylpropanamide

C15H24N4O2 — CID 106914620

IUPAC3-[[3-(5-amino-2-methylanilino)-3-oxopropyl]-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)CCC(=O)Nc1cc(N)ccc1C
InChIInChI=1S/C15H24N4O2/c1-11-4-5-12(16)10-13(11)18-15(21)7-9-19(3)8-6-14(20)17-2/h4-5,10H,6-9,16H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyWZVJNQQFVRIPAQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.97
Rot. Bonds7

About 3-[[3-(5-amino-2-methylanilino)-3-oxopropyl]-methylamino]-N-methylpropanamide

3-[[3-(5-amino-2-methylanilino)-3-oxopropyl]-methylamino]-N-methylpropanamide (PubChem CID 106914620) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[[3-(5-amino-2-methylanilino)-3-oxopropyl]-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[3-(5-amino-2-methylanilino)-3-oxopropyl]-methylamino]-N-methylpropanamide
PubChem CID106914620
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-[[3-(5-amino-2-methylanilino)-3-oxopropyl]-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)CCC(=O)Nc1cc(N)ccc1C
InChIInChI=1S/C15H24N4O2/c1-11-4-5-12(16)10-13(11)18-15(21)7-9-19(3)8-6-14(20)17-2/h4-5,10H,6-9,16H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyWZVJNQQFVRIPAQ-UHFFFAOYSA-N
XLogP0.97
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.97
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
N-(5-amino-2-methylphenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
CID 54879460
N-(5-amino-2-methylphenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide
CID 63695280
N-(5-amino-2-methylphenyl)-3-[cyclopentyl(methyl)amino]propanamide
CID 43266810
N-(4-amino-2-methylphenyl)-3-[methyl(propyl)amino]propanamide
CID 43270832
N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide
CID 16778780
3-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 106914665
N-(5-amino-2-methylphenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272550
N-(5-amino-2-methylphenyl)-2-[methyl(pentyl)amino]acetamide
CID 43294488
N-(5-amino-2-methylphenyl)-4-(dipropylamino)butanamide;dihydrochloride
CID 120569210
3-[[2-(5-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide
CID 106914827
N-(5-amino-2-methylphenyl)-4-methylsulfanylbutanamide
CID 61025006

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(5-amino-2-methylanilino)-3-oxopropyl]-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[[3-(5-amino-2-methylanilino)-3-oxopropyl]-methylamino]-N-methylpropanamide (CID 106914620) is 3-[[3-(5-amino-2-methylanilino)-3-oxopropyl]-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[[3-(5-amino-2-methylanilino)-3-oxopropyl]-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[[3-(5-amino-2-methylanilino)-3-oxopropyl]-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)CCC(=O)Nc1cc(N)ccc1C.
What is the InChIKey of 3-[[3-(5-amino-2-methylanilino)-3-oxopropyl]-methylamino]-N-methylpropanamide?
The InChIKey is WZVJNQQFVRIPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11-4-5-12(16)10-13(11)18-15(21)7-9-19(3)8-6-14(20)17-2/h4-5,10H,6-9,16H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of 3-[[3-(5-amino-2-methylanilino)-3-oxopropyl]-methylamino]-N-methylpropanamide?
3-[[3-(5-amino-2-methylanilino)-3-oxopropyl]-methylamino]-N-methylpropanamide has a molecular weight of 292.38 g/mol, XLogP of 0.97, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(5-amino-2-methylanilino)-3-oxopropyl]-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106914620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).