2-(cyclopropylamino)-5-(1,3-dihydroisoindol-2-yl)-2-methylpentanamide

C17H25N3O — CID 62232161

IUPAC2-(cyclopropylamino)-5-(1,3-dihydroisoindol-2-yl)-2-methylpentanamide
SMILESCC(CCCN1Cc2ccccc2C1)(NC1CC1)C(N)=O
InChIInChI=1S/C17H25N3O/c1-17(16(18)21,19-15-7-8-15)9-4-10-20-11-13-5-2-3-6-14(13)12-20/h2-3,5-6,15,19H,4,7-12H2,1H3,(H2,18,21)
InChIKeyQUCROPLCVHQKHE-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.78
Rot. Bonds7

About 2-(cyclopropylamino)-5-(1,3-dihydroisoindol-2-yl)-2-methylpentanamide

2-(cyclopropylamino)-5-(1,3-dihydroisoindol-2-yl)-2-methylpentanamide (PubChem CID 62232161) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-(cyclopropylamino)-5-(1,3-dihydroisoindol-2-yl)-2-methylpentanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-5-(1,3-dihydroisoindol-2-yl)-2-methylpentanamide
PubChem CID62232161
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-(cyclopropylamino)-5-(1,3-dihydroisoindol-2-yl)-2-methylpentanamide
SMILESCC(CCCN1Cc2ccccc2C1)(NC1CC1)C(N)=O
InChIInChI=1S/C17H25N3O/c1-17(16(18)21,19-15-7-8-15)9-4-10-20-11-13-5-2-3-6-14(13)12-20/h2-3,5-6,15,19H,4,7-12H2,1H3,(H2,18,21)
InChIKeyQUCROPLCVHQKHE-UHFFFAOYSA-N
XLogP1.78
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-5-(1,3-dihydroisoindol-2-yl)-2-methylpentanamide?
The IUPAC name of 2-(cyclopropylamino)-5-(1,3-dihydroisoindol-2-yl)-2-methylpentanamide (CID 62232161) is 2-(cyclopropylamino)-5-(1,3-dihydroisoindol-2-yl)-2-methylpentanamide.
What is the SMILES notation for 2-(cyclopropylamino)-5-(1,3-dihydroisoindol-2-yl)-2-methylpentanamide?
The canonical SMILES for 2-(cyclopropylamino)-5-(1,3-dihydroisoindol-2-yl)-2-methylpentanamide is CC(CCCN1Cc2ccccc2C1)(NC1CC1)C(N)=O.
What is the InChIKey of 2-(cyclopropylamino)-5-(1,3-dihydroisoindol-2-yl)-2-methylpentanamide?
The InChIKey is QUCROPLCVHQKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-17(16(18)21,19-15-7-8-15)9-4-10-20-11-13-5-2-3-6-14(13)12-20/h2-3,5-6,15,19H,4,7-12H2,1H3,(H2,18,21).
What are the key properties of 2-(cyclopropylamino)-5-(1,3-dihydroisoindol-2-yl)-2-methylpentanamide?
2-(cyclopropylamino)-5-(1,3-dihydroisoindol-2-yl)-2-methylpentanamide has a molecular weight of 287.41 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-5-(1,3-dihydroisoindol-2-yl)-2-methylpentanamide is sourced from PubChem (CID 62232161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).