2-methyl-N-[2-(methylamino)propyl]-1,3-dioxoisoindole-5-carboxamide

C14H17N3O3 — CID 120827153

IUPAC2-methyl-N-[2-(methylamino)propyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCNC(C)CNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C14H17N3O3/c1-8(15-2)7-16-12(18)9-4-5-10-11(6-9)14(20)17(3)13(10)19/h4-6,8,15H,7H2,1-3H3,(H,16,18)
InChIKeyZXJHGWWETWUKDY-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.25
Rot. Bonds4

About 2-methyl-N-[2-(methylamino)propyl]-1,3-dioxoisoindole-5-carboxamide

2-methyl-N-[2-(methylamino)propyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 120827153) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-methyl-N-[2-(methylamino)propyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(methylamino)propyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID120827153
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-methyl-N-[2-(methylamino)propyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCNC(C)CNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C14H17N3O3/c1-8(15-2)7-16-12(18)9-4-5-10-11(6-9)14(20)17(3)13(10)19/h4-6,8,15H,7H2,1-3H3,(H,16,18)
InChIKeyZXJHGWWETWUKDY-UHFFFAOYSA-N
XLogP0.25
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[5-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]pentyl]-1,3-dioxoisoindole-5-carboxamide
CID 169211222
2-methyl-N-[[5-[[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]-3,6-dioxopiperazin-2-yl]methyl]-1,3-dioxoisoindole-5-carboxamide
CID 169211204
2-methyl-1,3-dioxo-N-prop-2-enylisoindole-5-carboxamide
CID 46679809
N-(2-amino-2-methylpropyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119628263
3,4-dihydroxy-N-[2-(methylamino)propyl]benzamide
CID 107728277
N-[4-[(1,3-dioxoisoindole-5-carbonyl)amino]butyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 169211208
2-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide
CID 55586968
N-[2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 78773962
2-methyl-1,3-dioxo-N-(4-phenylbutan-2-yl)isoindole-5-carboxamide
CID 51157933
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829754
1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide
CID 103512630
N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 34949059

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(methylamino)propyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-methyl-N-[2-(methylamino)propyl]-1,3-dioxoisoindole-5-carboxamide (CID 120827153) is 2-methyl-N-[2-(methylamino)propyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(methylamino)propyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(methylamino)propyl]-1,3-dioxoisoindole-5-carboxamide is CNC(C)CNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O.
What is the InChIKey of 2-methyl-N-[2-(methylamino)propyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is ZXJHGWWETWUKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-8(15-2)7-16-12(18)9-4-5-10-11(6-9)14(20)17(3)13(10)19/h4-6,8,15H,7H2,1-3H3,(H,16,18).
What are the key properties of 2-methyl-N-[2-(methylamino)propyl]-1,3-dioxoisoindole-5-carboxamide?
2-methyl-N-[2-(methylamino)propyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(methylamino)propyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 120827153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).