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

C17H18N2O2 — CID 107735028

IUPACN-ethyl-N-(3-hydroxyphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCCN(C(=O)c1ccc2c(c1)CNC2)c1cccc(O)c1
InChIInChI=1S/C17H18N2O2/c1-2-19(15-4-3-5-16(20)9-15)17(21)12-6-7-13-10-18-11-14(13)8-12/h3-9,18,20H,2,10-11H2,1H3
InChIKeyBZBHFSLHJMRHAN-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.66
Rot. Bonds3

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

N-ethyl-N-(3-hydroxyphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide (PubChem CID 107735028) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-ethyl-N-(3-hydroxyphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(3-hydroxyphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
PubChem CID107735028
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-ethyl-N-(3-hydroxyphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
SMILESCCN(C(=O)c1ccc2c(c1)CNC2)c1cccc(O)c1
InChIInChI=1S/C17H18N2O2/c1-2-19(15-4-3-5-16(20)9-15)17(21)12-6-7-13-10-18-11-14(13)8-12/h3-9,18,20H,2,10-11H2,1H3
InChIKeyBZBHFSLHJMRHAN-UHFFFAOYSA-N
XLogP2.66
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-hydroxyphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The IUPAC name of N-ethyl-N-(3-hydroxyphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide (CID 107735028) is N-ethyl-N-(3-hydroxyphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide.
What is the SMILES notation for N-ethyl-N-(3-hydroxyphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The canonical SMILES for N-ethyl-N-(3-hydroxyphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide is CCN(C(=O)c1ccc2c(c1)CNC2)c1cccc(O)c1.
What is the InChIKey of N-ethyl-N-(3-hydroxyphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
The InChIKey is BZBHFSLHJMRHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-2-19(15-4-3-5-16(20)9-15)17(21)12-6-7-13-10-18-11-14(13)8-12/h3-9,18,20H,2,10-11H2,1H3.
What are the key properties of N-ethyl-N-(3-hydroxyphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide?
N-ethyl-N-(3-hydroxyphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-hydroxyphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide is sourced from PubChem (CID 107735028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).