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

C17H18N2O2 — CID 80563456

IUPACN-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)C1CNc2ccccc21
InChIInChI=1S/C17H18N2O2/c20-13-7-5-12(6-8-13)9-10-18-17(21)15-11-19-16-4-2-1-3-14(15)16/h1-8,15,19-20H,9-11H2,(H,18,21)
InChIKeyBNSGLGLAXGITTA-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.26
Rot. Bonds4

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

N-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 80563456) 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-indole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID80563456
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)C1CNc2ccccc21
InChIInChI=1S/C17H18N2O2/c20-13-7-5-12(6-8-13)9-10-18-17(21)15-11-19-16-4-2-1-3-14(15)16/h1-8,15,19-20H,9-11H2,(H,18,21)
InChIKeyBNSGLGLAXGITTA-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1H-indole-3-carbonylamino)butanoic acid
CID 80565766
N-hexyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80565289
N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566085
4-(2,3-dihydro-1H-indole-3-carbonylamino)-2-methylbutanoic acid
CID 80567354
N-(2,2-difluoroethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 115406896
N-[2-[cyclopentyl(methyl)amino]ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80563493
N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80566305
N-[(2-methylcyclopropyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 113463842
N-(cyclohexylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566002
2-(2,3-dihydro-1H-indol-3-yl)-N-[(4-hydroxyphenyl)methyl]acetamide
CID 114332228
N-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80567229
N-[(3-hydroxycyclopentyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 106134248

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide (CID 80563456) is N-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide is O=C(NCCc1ccc(O)cc1)C1CNc2ccccc21.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is BNSGLGLAXGITTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-13-7-5-12(6-8-13)9-10-18-17(21)15-11-19-16-4-2-1-3-14(15)16/h1-8,15,19-20H,9-11H2,(H,18,21).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide?
N-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 2.26, 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-indole-3-carboxamide is sourced from PubChem (CID 80563456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).