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

C14H15N3O3 — CID 60661183

IUPAC2-(cyclopropylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
SMILESCN1C(=O)c2ccc(NC(=O)CNC3CC3)cc2C1=O
InChIInChI=1S/C14H15N3O3/c1-17-13(19)10-5-4-9(6-11(10)14(17)20)16-12(18)7-15-8-2-3-8/h4-6,8,15H,2-3,7H2,1H3,(H,16,18)
InChIKeyAOBSPSONAMPCLD-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.60
Rot. Bonds4

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

2-(cyclopropylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide (PubChem CID 60661183) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
PubChem CID60661183
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-(cyclopropylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
SMILESCN1C(=O)c2ccc(NC(=O)CNC3CC3)cc2C1=O
InChIInChI=1S/C14H15N3O3/c1-17-13(19)10-5-4-9(6-11(10)14(17)20)16-12(18)7-15-8-2-3-8/h4-6,8,15H,2-3,7H2,1H3,(H,16,18)
InChIKeyAOBSPSONAMPCLD-UHFFFAOYSA-N
XLogP0.60
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.60
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

3-(cyclopropylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 60841920
3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-3-oxopropanoic acid
CID 62230900
2-(4-aminopiperidin-1-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 119908193
3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 18070369
2-[3-(methylamino)piperidin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide;hydrochloride
CID 119919466
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-[2-(4-methylphenyl)pyrrolidin-1-yl]acetamide
CID 55551245
2-(4-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 7597200
2-(1-aminocyclobutyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 79842925
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 171706171
2-[(4-methylcyclohexyl)amino]-N-(4-methylphenyl)acetamide
CID 28579743
2-(cyclopropylamino)-N-(3,4-difluorophenyl)acetamide
CID 60647201
1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 24664740

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide?
The IUPAC name of 2-(cyclopropylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide (CID 60661183) is 2-(cyclopropylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide?
The canonical SMILES for 2-(cyclopropylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide is CN1C(=O)c2ccc(NC(=O)CNC3CC3)cc2C1=O.
What is the InChIKey of 2-(cyclopropylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide?
The InChIKey is AOBSPSONAMPCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-17-13(19)10-5-4-9(6-11(10)14(17)20)16-12(18)7-15-8-2-3-8/h4-6,8,15H,2-3,7H2,1H3,(H,16,18).
What are the key properties of 2-(cyclopropylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide?
2-(cyclopropylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide has a molecular weight of 273.29 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide is sourced from PubChem (CID 60661183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).