N-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide

C17H18N2O2 — CID 103998665

IUPACN-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1ccc2c(c1)CNC2
InChIInChI=1S/C17H18N2O2/c20-16-5-1-12(2-6-16)7-8-19-17(21)13-3-4-14-10-18-11-15(14)9-13/h1-6,9,18,20H,7-8,10-11H2,(H,19,21)
InChIKeyLTLLKVZAAZWEOM-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.97
Rot. Bonds4

About N-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide

N-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 103998665) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID103998665
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1ccc2c(c1)CNC2
InChIInChI=1S/C17H18N2O2/c20-16-5-1-12(2-6-16)7-8-19-17(21)13-3-4-14-10-18-11-15(14)9-13/h1-6,9,18,20H,7-8,10-11H2,(H,19,21)
InChIKeyLTLLKVZAAZWEOM-UHFFFAOYSA-N
XLogP1.97
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998692
N-[2-(4-hydroxyphenyl)ethyl]naphthalene-2-carboxamide
CID 6624490
N-[2-(2-methylphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999158
N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 106175471
3-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzamide
CID 61017535
N-pent-4-enyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 114264864
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-hydroxy-4-methylbenzamide
CID 105357527
N-[2-(azepan-1-yl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998667
4-(2,3-dihydro-1H-isoindole-5-carbonylamino)-2-methylbutanoic acid
CID 103999197
N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 82171853
3-chloro-N-[2-(4-hydroxyphenyl)ethyl]-4-iodobenzamide
CID 103738158
N-[(4-cyanophenyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998461

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide (CID 103998665) is N-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide is O=C(NCCc1ccc(O)cc1)c1ccc2c(c1)CNC2.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is LTLLKVZAAZWEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-16-5-1-12(2-6-16)7-8-19-17(21)13-3-4-14-10-18-11-15(14)9-13/h1-6,9,18,20H,7-8,10-11H2,(H,19,21).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide?
N-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 103998665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).