N-ethyl-1-(2-methoxyethyl)-N-prop-2-ynylpyrrole-2-carboxamide

C13H18N2O2 — CID 114610851

IUPACN-ethyl-1-(2-methoxyethyl)-N-prop-2-ynylpyrrole-2-carboxamide
SMILESC#CCN(CC)C(=O)c1cccn1CCOC
InChIInChI=1S/C13H18N2O2/c1-4-8-14(5-2)13(16)12-7-6-9-15(12)10-11-17-3/h1,6-7,9H,5,8,10-11H2,2-3H3
InChIKeyZHYKRMDRGDPZDK-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.23
Rot. Bonds6

About N-ethyl-1-(2-methoxyethyl)-N-prop-2-ynylpyrrole-2-carboxamide

N-ethyl-1-(2-methoxyethyl)-N-prop-2-ynylpyrrole-2-carboxamide (PubChem CID 114610851) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-ethyl-1-(2-methoxyethyl)-N-prop-2-ynylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(2-methoxyethyl)-N-prop-2-ynylpyrrole-2-carboxamide
PubChem CID114610851
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-ethyl-1-(2-methoxyethyl)-N-prop-2-ynylpyrrole-2-carboxamide
SMILESC#CCN(CC)C(=O)c1cccn1CCOC
InChIInChI=1S/C13H18N2O2/c1-4-8-14(5-2)13(16)12-7-6-9-15(12)10-11-17-3/h1,6-7,9H,5,8,10-11H2,2-3H3
InChIKeyZHYKRMDRGDPZDK-UHFFFAOYSA-N
XLogP1.23
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609488
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609713
1-(2-methoxyethyl)-N-pent-4-ynylpyrrole-2-carboxamide
CID 106223251
1-(2-methoxyethyl)-N-pent-1-yn-3-ylpyrrole-2-carboxamide
CID 106227866
2-[2-[ethyl(2-methoxyethyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325234
1-[1-(2-methoxyethyl)pyrrol-2-yl]ethanone
CID 45086402
2-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]-prop-2-ynylamino]acetic acid
CID 114608988
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,N-diethyl-1-methylpyrrole-2-carboxamide
CID 60654004
N-[(4-hydroxyoxan-4-yl)methyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609728
N-(3-ethyl-2-hydroxypentyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 106287615

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methoxyethyl)-N-prop-2-ynylpyrrole-2-carboxamide?
The IUPAC name of N-ethyl-1-(2-methoxyethyl)-N-prop-2-ynylpyrrole-2-carboxamide (CID 114610851) is N-ethyl-1-(2-methoxyethyl)-N-prop-2-ynylpyrrole-2-carboxamide.
What is the SMILES notation for N-ethyl-1-(2-methoxyethyl)-N-prop-2-ynylpyrrole-2-carboxamide?
The canonical SMILES for N-ethyl-1-(2-methoxyethyl)-N-prop-2-ynylpyrrole-2-carboxamide is C#CCN(CC)C(=O)c1cccn1CCOC.
What is the InChIKey of N-ethyl-1-(2-methoxyethyl)-N-prop-2-ynylpyrrole-2-carboxamide?
The InChIKey is ZHYKRMDRGDPZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-4-8-14(5-2)13(16)12-7-6-9-15(12)10-11-17-3/h1,6-7,9H,5,8,10-11H2,2-3H3.
What are the key properties of N-ethyl-1-(2-methoxyethyl)-N-prop-2-ynylpyrrole-2-carboxamide?
N-ethyl-1-(2-methoxyethyl)-N-prop-2-ynylpyrrole-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methoxyethyl)-N-prop-2-ynylpyrrole-2-carboxamide is sourced from PubChem (CID 114610851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).