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

C13H20N2O3 — CID 113356717

IUPAC1-cyclopropyl-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide
SMILESCOCCN(CCO)C(=O)c1cccn1C1CC1
InChIInChI=1S/C13H20N2O3/c1-18-10-8-14(7-9-16)13(17)12-3-2-6-15(12)11-4-5-11/h2-3,6,11,16H,4-5,7-10H2,1H3
InChIKeyNYGHMTXNJRZGDL-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.90
Rot. Bonds7

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

1-cyclopropyl-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide (PubChem CID 113356717) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-cyclopropyl-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide
PubChem CID113356717
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-cyclopropyl-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide
SMILESCOCCN(CCO)C(=O)c1cccn1C1CC1
InChIInChI=1S/C13H20N2O3/c1-18-10-8-14(7-9-16)13(17)12-3-2-6-15(12)11-4-5-11/h2-3,6,11,16H,4-5,7-10H2,1H3
InChIKeyNYGHMTXNJRZGDL-UHFFFAOYSA-N
XLogP0.90
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-cyclobutylpyrrole-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 114608759
1-cyclopropyl-N-(2-hydroxyethyl)-N-methylpyrrole-2-carboxamide
CID 60962060
N-(2-methoxyethyl)-N-methyl-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62715240
1-cyclopropyl-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 131932038
N-cyclopropyl-N-(2-methoxyethyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62715573
1-cyclobutyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pyrrole-2-carboxamide
CID 107483136
1-cyclopropyl-N-[2-(dimethylamino)ethyl]-N-ethylpyrrole-2-carboxamide
CID 77088699
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 107479360
N-ethyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609488
1-cyclopropyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide
CID 43639342
N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772786
2-[(1-cyclopropylpyrrole-2-carbonyl)-methylamino]acetic acid
CID 43639286

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide?
The IUPAC name of 1-cyclopropyl-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide (CID 113356717) is 1-cyclopropyl-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide is COCCN(CCO)C(=O)c1cccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide?
The InChIKey is NYGHMTXNJRZGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-18-10-8-14(7-9-16)13(17)12-3-2-6-15(12)11-4-5-11/h2-3,6,11,16H,4-5,7-10H2,1H3.
What are the key properties of 1-cyclopropyl-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide?
1-cyclopropyl-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide has a molecular weight of 252.31 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 113356717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).