N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1H-indole-4-carboxamide

C18H18N2O3 — CID 110899628

IUPACN-[4-ethoxy-3-(hydroxymethyl)phenyl]-1H-indole-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cccc3[nH]ccc23)cc1CO
InChIInChI=1S/C18H18N2O3/c1-2-23-17-7-6-13(10-12(17)11-21)20-18(22)15-4-3-5-16-14(15)8-9-19-16/h3-10,19,21H,2,11H2,1H3,(H,20,22)
InChIKeyYBRYOKXBVHFBQF-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.31
Rot. Bonds5

About N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1H-indole-4-carboxamide

N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1H-indole-4-carboxamide (PubChem CID 110899628) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-[4-ethoxy-3-(hydroxymethyl)phenyl]-1H-indole-4-carboxamide
PubChem CID110899628
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-[4-ethoxy-3-(hydroxymethyl)phenyl]-1H-indole-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cccc3[nH]ccc23)cc1CO
InChIInChI=1S/C18H18N2O3/c1-2-23-17-7-6-13(10-12(17)11-21)20-18(22)15-4-3-5-16-14(15)8-9-19-16/h3-10,19,21H,2,11H2,1H3,(H,20,22)
InChIKeyYBRYOKXBVHFBQF-UHFFFAOYSA-N
XLogP3.31
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1H-indazole-3-carboxamide
CID 110899639
N-(4-methoxy-3-nitrophenyl)-1H-indole-4-carboxamide
CID 86787175
N-(3-chloro-4-methylphenyl)-1H-indole-4-carboxamide
CID 43582392
N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 61015482
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylbenzamide
CID 61013736
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-hydroxybenzamide
CID 61014959
N-[4-ethoxy-3-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 61015216
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-fluoropyridine-4-carboxamide
CID 64950704
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 61015215
ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate
CID 54903026
N-(3-bromo-4-fluorophenyl)-1H-indole-4-carboxamide
CID 115672322
N-[4-(dimethylamino)phenyl]-1H-indole-4-carboxamide
CID 43617232

Frequently Asked Questions

What is the IUPAC name of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1H-indole-4-carboxamide?
The IUPAC name of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1H-indole-4-carboxamide (CID 110899628) is N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1H-indole-4-carboxamide.
What is the SMILES notation for N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1H-indole-4-carboxamide?
The canonical SMILES for N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1H-indole-4-carboxamide is CCOc1ccc(NC(=O)c2cccc3[nH]ccc23)cc1CO.
What is the InChIKey of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1H-indole-4-carboxamide?
The InChIKey is YBRYOKXBVHFBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-2-23-17-7-6-13(10-12(17)11-21)20-18(22)15-4-3-5-16-14(15)8-9-19-16/h3-10,19,21H,2,11H2,1H3,(H,20,22).
What are the key properties of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1H-indole-4-carboxamide?
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1H-indole-4-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 3.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1H-indole-4-carboxamide is sourced from PubChem (CID 110899628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).