N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]-2-pyrrolidin-2-ylacetamide

C19H29N3O — CID 119872427

IUPACN-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]-2-pyrrolidin-2-ylacetamide
SMILESCC(C)CCN1Cc2cccc(NC(=O)CC3CCCN3)c2C1
InChIInChI=1S/C19H29N3O/c1-14(2)8-10-22-12-15-5-3-7-18(17(15)13-22)21-19(23)11-16-6-4-9-20-16/h3,5,7,14,16,20H,4,6,8-13H2,1-2H3,(H,21,23)
InChIKeyLHFWBXYMTHBSLB-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.13
Rot. Bonds6

About N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]-2-pyrrolidin-2-ylacetamide

N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119872427) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]-2-pyrrolidin-2-ylacetamide
PubChem CID119872427
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC NameN-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]-2-pyrrolidin-2-ylacetamide
SMILESCC(C)CCN1Cc2cccc(NC(=O)CC3CCCN3)c2C1
InChIInChI=1S/C19H29N3O/c1-14(2)8-10-22-12-15-5-3-7-18(17(15)13-22)21-19(23)11-16-6-4-9-20-16/h3,5,7,14,16,20H,4,6,8-13H2,1-2H3,(H,21,23)
InChIKeyLHFWBXYMTHBSLB-UHFFFAOYSA-N
XLogP3.13
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]-2-pyrrolidin-2-ylacetamide (CID 119872427) is N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]-2-pyrrolidin-2-ylacetamide is CC(C)CCN1Cc2cccc(NC(=O)CC3CCCN3)c2C1.
What is the InChIKey of N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is LHFWBXYMTHBSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-14(2)8-10-22-12-15-5-3-7-18(17(15)13-22)21-19(23)11-16-6-4-9-20-16/h3,5,7,14,16,20H,4,6,8-13H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]-2-pyrrolidin-2-ylacetamide?
N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 315.46 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylbutyl)-1,3-dihydroisoindol-4-yl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119872427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).