N-ethyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide

C12H20N2O3 — CID 114609488

IUPACN-ethyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
SMILESCCN(CCO)C(=O)c1cccn1CCOC
InChIInChI=1S/C12H20N2O3/c1-3-13(7-9-15)12(16)11-5-4-6-14(11)8-10-17-2/h4-6,15H,3,7-10H2,1-2H3
InChIKeyKCRSVSMAYBYUCM-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.59
Rot. Bonds7

About N-ethyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide

N-ethyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide (PubChem CID 114609488) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
PubChem CID114609488
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
SMILESCCN(CCO)C(=O)c1cccn1CCOC
InChIInChI=1S/C12H20N2O3/c1-3-13(7-9-15)12(16)11-5-4-6-14(11)8-10-17-2/h4-6,15H,3,7-10H2,1-2H3
InChIKeyKCRSVSMAYBYUCM-UHFFFAOYSA-N
XLogP0.59
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609713
N-ethyl-1-(2-methoxyethyl)-N-prop-2-ynylpyrrole-2-carboxamide
CID 114610851
2-[2-[ethyl(2-hydroxyethyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325083
2-[2-[ethyl(2-methoxyethyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325234
N-ethyl-N-(2-hydroxyethyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114609486
1-[1-(2-methoxyethyl)pyrrol-2-yl]ethanone
CID 45086402
2-[2-[2-hydroxyethyl(propyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325086
1-cyclopropyl-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide
CID 113356717
3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid
CID 114608589
N-(2,3-dihydroxy-2-methylpropyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609704
N-(3-amino-2-hydroxy-3-oxopropyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114152525
1-ethyl-N-(2-hydroxyethyl)-N-methylpyrrole-2-carboxamide
CID 60961930

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide (CID 114609488) is N-ethyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide is CCN(CCO)C(=O)c1cccn1CCOC.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide?
The InChIKey is KCRSVSMAYBYUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-3-13(7-9-15)12(16)11-5-4-6-14(11)8-10-17-2/h4-6,15H,3,7-10H2,1-2H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide?
N-ethyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide has a molecular weight of 240.30 g/mol, XLogP of 0.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 114609488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).