1-(2-hydroxyethyl)-5-methylindole-3-carboxamide

C12H14N2O2 — CID 173096651

IUPAC1-(2-hydroxyethyl)-5-methylindole-3-carboxamide
SMILESCc1ccc2c(c1)c(C(N)=O)cn2CCO
InChIInChI=1S/C12H14N2O2/c1-8-2-3-11-9(6-8)10(12(13)16)7-14(11)4-5-15/h2-3,6-7,15H,4-5H2,1H3,(H2,13,16)
InChIKeyXHRNSKNIFSPVBR-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.04
Rot. Bonds3

About 1-(2-hydroxyethyl)-5-methylindole-3-carboxamide

1-(2-hydroxyethyl)-5-methylindole-3-carboxamide (PubChem CID 173096651) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-5-methylindole-3-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-5-methylindole-3-carboxamide
PubChem CID173096651
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-(2-hydroxyethyl)-5-methylindole-3-carboxamide
SMILESCc1ccc2c(c1)c(C(N)=O)cn2CCO
InChIInChI=1S/C12H14N2O2/c1-8-2-3-11-9(6-8)10(12(13)16)7-14(11)4-5-15/h2-3,6-7,15H,4-5H2,1H3,(H2,13,16)
InChIKeyXHRNSKNIFSPVBR-UHFFFAOYSA-N
XLogP1.04
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-dimethylindole-3-carboxamide
CID 119084556
1-(2-hydroxyethyl)indole-3-carboxamide
CID 172792494
1-ethyl-5-methylindole-3-carboxylic acid
CID 52911028
1-[5-bromo-1-(2-hydroxyethyl)indol-3-yl]ethanone
CID 83948117
1-[5-methyl-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]ethanone
CID 117098609
1-(2-hydroxyethyl)-5,6-dimethylindole-3-carboxylic acid
CID 83947394
1-[2-(2-methoxyphenoxy)ethyl]-5-methylindole-3-carboxylic acid
CID 25109967
2-[1-(2-hydroxyethyl)indol-3-yl]-2-oxoacetamide
CID 20976467
2-[5-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol
CID 112719753
2-(3-acetyl-5-methylindol-1-yl)-N-methylacetamide
CID 117098611
1-(2-hydroxyethyl)-3-methylindole-5-carboxylic acid
CID 83963535
methyl 5-methyl-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-3-carboxylate
CID 70118140

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-5-methylindole-3-carboxamide?
The IUPAC name of 1-(2-hydroxyethyl)-5-methylindole-3-carboxamide (CID 173096651) is 1-(2-hydroxyethyl)-5-methylindole-3-carboxamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-5-methylindole-3-carboxamide?
The canonical SMILES for 1-(2-hydroxyethyl)-5-methylindole-3-carboxamide is Cc1ccc2c(c1)c(C(N)=O)cn2CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-5-methylindole-3-carboxamide?
The InChIKey is XHRNSKNIFSPVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8-2-3-11-9(6-8)10(12(13)16)7-14(11)4-5-15/h2-3,6-7,15H,4-5H2,1H3,(H2,13,16).
What are the key properties of 1-(2-hydroxyethyl)-5-methylindole-3-carboxamide?
1-(2-hydroxyethyl)-5-methylindole-3-carboxamide has a molecular weight of 218.26 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-5-methylindole-3-carboxamide is sourced from PubChem (CID 173096651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).