N-(2-methyl-1,3-dihydroisoindol-4-yl)butanamide

C13H18N2O — CID 110478696

IUPACN-(2-methyl-1,3-dihydroisoindol-4-yl)butanamide
SMILESCCCC(=O)Nc1cccc2c1CN(C)C2
InChIInChI=1S/C13H18N2O/c1-3-5-13(16)14-12-7-4-6-10-8-15(2)9-11(10)12/h4,6-7H,3,5,8-9H2,1-2H3,(H,14,16)
InChIKeyBDTZJMVCGOJWGR-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.37
Rot. Bonds3

About N-(2-methyl-1,3-dihydroisoindol-4-yl)butanamide

N-(2-methyl-1,3-dihydroisoindol-4-yl)butanamide (PubChem CID 110478696) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(2-methyl-1,3-dihydroisoindol-4-yl)butanamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-dihydroisoindol-4-yl)butanamide
PubChem CID110478696
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-(2-methyl-1,3-dihydroisoindol-4-yl)butanamide
SMILESCCCC(=O)Nc1cccc2c1CN(C)C2
InChIInChI=1S/C13H18N2O/c1-3-5-13(16)14-12-7-4-6-10-8-15(2)9-11(10)12/h4,6-7H,3,5,8-9H2,1-2H3,(H,14,16)
InChIKeyBDTZJMVCGOJWGR-UHFFFAOYSA-N
XLogP2.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-dihydroisoindol-4-yl)butanamide?
The IUPAC name of N-(2-methyl-1,3-dihydroisoindol-4-yl)butanamide (CID 110478696) is N-(2-methyl-1,3-dihydroisoindol-4-yl)butanamide.
What is the SMILES notation for N-(2-methyl-1,3-dihydroisoindol-4-yl)butanamide?
The canonical SMILES for N-(2-methyl-1,3-dihydroisoindol-4-yl)butanamide is CCCC(=O)Nc1cccc2c1CN(C)C2.
What is the InChIKey of N-(2-methyl-1,3-dihydroisoindol-4-yl)butanamide?
The InChIKey is BDTZJMVCGOJWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-5-13(16)14-12-7-4-6-10-8-15(2)9-11(10)12/h4,6-7H,3,5,8-9H2,1-2H3,(H,14,16).
What are the key properties of N-(2-methyl-1,3-dihydroisoindol-4-yl)butanamide?
N-(2-methyl-1,3-dihydroisoindol-4-yl)butanamide has a molecular weight of 218.30 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-dihydroisoindol-4-yl)butanamide is sourced from PubChem (CID 110478696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).