N-(4-hydroxy-2-methylbutyl)-2,3-dihydro-1H-isoindole-5-carboxamide

C14H20N2O2 — CID 113363657

IUPACN-(4-hydroxy-2-methylbutyl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCC(CCO)CNC(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C14H20N2O2/c1-10(4-5-17)7-16-14(18)11-2-3-12-8-15-9-13(12)6-11/h2-3,6,10,15,17H,4-5,7-9H2,1H3,(H,16,18)
InChIKeyDURPADBZJPETIG-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.04
Rot. Bonds5

About N-(4-hydroxy-2-methylbutyl)-2,3-dihydro-1H-isoindole-5-carboxamide

N-(4-hydroxy-2-methylbutyl)-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 113363657) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutyl)-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutyl)-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID113363657
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(4-hydroxy-2-methylbutyl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCC(CCO)CNC(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C14H20N2O2/c1-10(4-5-17)7-16-14(18)11-2-3-12-8-15-9-13(12)6-11/h2-3,6,10,15,17H,4-5,7-9H2,1H3,(H,16,18)
InChIKeyDURPADBZJPETIG-UHFFFAOYSA-N
XLogP1.04
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 82171853
N-[2-(2-hydroxyethyl)pentyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 104873176
N-(2,2-dimethoxyethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998690
4-(2,3-dihydro-1H-isoindole-5-carbonylamino)-2-methylbutanoic acid
CID 103999197
4-chloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66106185
4-chloro-3-fluoro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 103876642
N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999059
N-(3-hydroxy-2-methylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 65037202
N-[2-(dimethylamino)-2-oxoethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997919
N-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 106175565
3,5-dichloro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66106434
N-(3-aminopropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998692

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-(4-hydroxy-2-methylbutyl)-2,3-dihydro-1H-isoindole-5-carboxamide (CID 113363657) is N-(4-hydroxy-2-methylbutyl)-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutyl)-2,3-dihydro-1H-isoindole-5-carboxamide is CC(CCO)CNC(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of N-(4-hydroxy-2-methylbutyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is DURPADBZJPETIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(4-5-17)7-16-14(18)11-2-3-12-8-15-9-13(12)6-11/h2-3,6,10,15,17H,4-5,7-9H2,1H3,(H,16,18).
What are the key properties of N-(4-hydroxy-2-methylbutyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
N-(4-hydroxy-2-methylbutyl)-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutyl)-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 113363657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).