N-[4-ethoxy-3-(hydroxymethyl)phenyl]indolizine-2-carboxamide

C18H18N2O3 — CID 71914918

IUPACN-[4-ethoxy-3-(hydroxymethyl)phenyl]indolizine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc3ccccn3c2)cc1CO
InChIInChI=1S/C18H18N2O3/c1-2-23-17-7-6-15(9-14(17)12-21)19-18(22)13-10-16-5-3-4-8-20(16)11-13/h3-11,21H,2,12H2,1H3,(H,19,22)
InChIKeyWEGATICTWIINRT-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.08
Rot. Bonds5

About N-[4-ethoxy-3-(hydroxymethyl)phenyl]indolizine-2-carboxamide

N-[4-ethoxy-3-(hydroxymethyl)phenyl]indolizine-2-carboxamide (PubChem CID 71914918) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[4-ethoxy-3-(hydroxymethyl)phenyl]indolizine-2-carboxamide.

Molecular Properties

Compound NameN-[4-ethoxy-3-(hydroxymethyl)phenyl]indolizine-2-carboxamide
PubChem CID71914918
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-[4-ethoxy-3-(hydroxymethyl)phenyl]indolizine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc3ccccn3c2)cc1CO
InChIInChI=1S/C18H18N2O3/c1-2-23-17-7-6-15(9-14(17)12-21)19-18(22)13-10-16-5-3-4-8-20(16)11-13/h3-11,21H,2,12H2,1H3,(H,19,22)
InChIKeyWEGATICTWIINRT-UHFFFAOYSA-N
XLogP3.08
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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]-5-iodothiophene-3-carboxamide
CID 79693780
N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 61015482
N-[3-(chloromethyl)-4-ethoxyphenyl]benzamide
CID 114302965
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 61015215
ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate
CID 54903026
N-[2-(indolizine-2-carbonylamino)phenyl]indolizine-2-carboxamide
CID 171577142
3-[4-ethoxy-3-(hydroxymethyl)anilino]-3-oxopropanoic acid
CID 62231238
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1H-indazole-3-carboxamide
CID 110899639
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,2-difluoroacetamide
CID 103513891

Frequently Asked Questions

What is the IUPAC name of N-[4-ethoxy-3-(hydroxymethyl)phenyl]indolizine-2-carboxamide?
The IUPAC name of N-[4-ethoxy-3-(hydroxymethyl)phenyl]indolizine-2-carboxamide (CID 71914918) is N-[4-ethoxy-3-(hydroxymethyl)phenyl]indolizine-2-carboxamide.
What is the SMILES notation for N-[4-ethoxy-3-(hydroxymethyl)phenyl]indolizine-2-carboxamide?
The canonical SMILES for N-[4-ethoxy-3-(hydroxymethyl)phenyl]indolizine-2-carboxamide is CCOc1ccc(NC(=O)c2cc3ccccn3c2)cc1CO.
What is the InChIKey of N-[4-ethoxy-3-(hydroxymethyl)phenyl]indolizine-2-carboxamide?
The InChIKey is WEGATICTWIINRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-2-23-17-7-6-15(9-14(17)12-21)19-18(22)13-10-16-5-3-4-8-20(16)11-13/h3-11,21H,2,12H2,1H3,(H,19,22).
What are the key properties of N-[4-ethoxy-3-(hydroxymethyl)phenyl]indolizine-2-carboxamide?
N-[4-ethoxy-3-(hydroxymethyl)phenyl]indolizine-2-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethoxy-3-(hydroxymethyl)phenyl]indolizine-2-carboxamide is sourced from PubChem (CID 71914918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).