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

C15H17N3O3 — CID 60841920

IUPAC3-(cyclopropylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
SMILESCN1C(=O)c2ccc(NC(=O)CCNC3CC3)cc2C1=O
InChIInChI=1S/C15H17N3O3/c1-18-14(20)11-5-4-10(8-12(11)15(18)21)17-13(19)6-7-16-9-2-3-9/h4-5,8-9,16H,2-3,6-7H2,1H3,(H,17,19)
InChIKeyIIRYDDUHEZODCF-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.99
Rot. Bonds5

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

3-(cyclopropylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide (PubChem CID 60841920) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
PubChem CID60841920
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-(cyclopropylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
SMILESCN1C(=O)c2ccc(NC(=O)CCNC3CC3)cc2C1=O
InChIInChI=1S/C15H17N3O3/c1-18-14(20)11-5-4-10(8-12(11)15(18)21)17-13(19)6-7-16-9-2-3-9/h4-5,8-9,16H,2-3,6-7H2,1H3,(H,17,19)
InChIKeyIIRYDDUHEZODCF-UHFFFAOYSA-N
XLogP0.99
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.99
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-(cyclopropylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 60661183
3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 18070369
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
2-[3-(methylamino)piperidin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide;hydrochloride
CID 119919466
N-(4-acetylphenyl)-3-(cyclopropylamino)propanamide
CID 61258440
3-(cyclopropylamino)-N-(1H-indazol-5-yl)propanamide
CID 60866208
N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-(2-methylphenyl)propanamide
CID 110732701
2-(4-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 7597200
N-(4-bromophenyl)-3-(cyclopropylamino)propanamide
CID 60723258
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 171706171
2-(1-aminocyclobutyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 79842925

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide?
The IUPAC name of 3-(cyclopropylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide (CID 60841920) is 3-(cyclopropylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide is CN1C(=O)c2ccc(NC(=O)CCNC3CC3)cc2C1=O.
What is the InChIKey of 3-(cyclopropylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide?
The InChIKey is IIRYDDUHEZODCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-18-14(20)11-5-4-10(8-12(11)15(18)21)17-13(19)6-7-16-9-2-3-9/h4-5,8-9,16H,2-3,6-7H2,1H3,(H,17,19).
What are the key properties of 3-(cyclopropylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide?
3-(cyclopropylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide has a molecular weight of 287.32 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide is sourced from PubChem (CID 60841920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).