N-(1-aminopropan-2-yl)-N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide

C15H19N3O3 — CID 119582495

IUPACN-(1-aminopropan-2-yl)-N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1ccc2c(c1)C(=O)N(CC(=O)N(C)C(C)CN)C2=O
InChIInChI=1S/C15H19N3O3/c1-9-4-5-11-12(6-9)15(21)18(14(11)20)8-13(19)17(3)10(2)7-16/h4-6,10H,7-8,16H2,1-3H3
InChIKeyVAFBCGUVKHQSSN-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.40
Rot. Bonds4

About N-(1-aminopropan-2-yl)-N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide

N-(1-aminopropan-2-yl)-N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 119582495) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide
PubChem CID119582495
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1ccc2c(c1)C(=O)N(CC(=O)N(C)C(C)CN)C2=O
InChIInChI=1S/C15H19N3O3/c1-9-4-5-11-12(6-9)15(21)18(14(11)20)8-13(19)17(3)10(2)7-16/h4-6,10H,7-8,16H2,1-3H3
InChIKeyVAFBCGUVKHQSSN-UHFFFAOYSA-N
XLogP0.40
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-[methyl-[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]propanoic acid
CID 119200050
N-(1-aminopropan-2-yl)-N-methyl-3-(4-methylphenyl)pentanamide
CID 119581659
N-(1-aminopropan-2-yl)-2-(2,5-dimethylphenyl)-N-methylacetamide;hydrochloride
CID 119584413
2-(2-hydroxypropyl)-5-methylisoindole-1,3-dione
CID 61208292
N-(1-aminopropan-2-yl)-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 119584047
N-(1-aminopropan-2-yl)-N-methyl-3-(4-methylphenyl)pentanamide;hydrochloride
CID 119581658
N-(1-aminopropan-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide
CID 119582843
N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 30860521
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-methyl-N-(4-methylphenyl)acetamide
CID 60622034
(2R)-4-methyl-2-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid
CID 119364791
2-(2-hydroxybutyl)-5-methylisoindole-1,3-dione
CID 113492803
N-(1-aminopropan-2-yl)-N-methyl-4-(4-methylphenyl)butanamide
CID 119584493

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide (CID 119582495) is N-(1-aminopropan-2-yl)-N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide is Cc1ccc2c(c1)C(=O)N(CC(=O)N(C)C(C)CN)C2=O.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is VAFBCGUVKHQSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9-4-5-11-12(6-9)15(21)18(14(11)20)8-13(19)17(3)10(2)7-16/h4-6,10H,7-8,16H2,1-3H3.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide?
N-(1-aminopropan-2-yl)-N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 289.34 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 119582495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).