2-ethyl-N-[1-(2-methoxyethyl)-2-methylindol-5-yl]-2,5-dihydropyrrole-1-carboxamide

C19H25N3O2 — CID 118788632

IUPAC2-ethyl-N-[1-(2-methoxyethyl)-2-methylindol-5-yl]-2,5-dihydropyrrole-1-carboxamide
SMILESCCC1C=CCN1C(=O)Nc1ccc2c(c1)cc(C)n2CCOC
InChIInChI=1S/C19H25N3O2/c1-4-17-6-5-9-22(17)19(23)20-16-7-8-18-15(13-16)12-14(2)21(18)10-11-24-3/h5-8,12-13,17H,4,9-11H2,1-3H3,(H,20,23)
InChIKeyIRDQQMFQWSFLDV-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.78
Rot. Bonds5

About 2-ethyl-N-[1-(2-methoxyethyl)-2-methylindol-5-yl]-2,5-dihydropyrrole-1-carboxamide

2-ethyl-N-[1-(2-methoxyethyl)-2-methylindol-5-yl]-2,5-dihydropyrrole-1-carboxamide (PubChem CID 118788632) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-ethyl-N-[1-(2-methoxyethyl)-2-methylindol-5-yl]-2,5-dihydropyrrole-1-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[1-(2-methoxyethyl)-2-methylindol-5-yl]-2,5-dihydropyrrole-1-carboxamide
PubChem CID118788632
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-ethyl-N-[1-(2-methoxyethyl)-2-methylindol-5-yl]-2,5-dihydropyrrole-1-carboxamide
SMILESCCC1C=CCN1C(=O)Nc1ccc2c(c1)cc(C)n2CCOC
InChIInChI=1S/C19H25N3O2/c1-4-17-6-5-9-22(17)19(23)20-16-7-8-18-15(13-16)12-14(2)21(18)10-11-24-3/h5-8,12-13,17H,4,9-11H2,1-3H3,(H,20,23)
InChIKeyIRDQQMFQWSFLDV-UHFFFAOYSA-N
XLogP3.78
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-(2-methoxyethyl)-2-methylindol-5-yl]-2,5-dihydropyrrole-1-carboxamide?
The IUPAC name of 2-ethyl-N-[1-(2-methoxyethyl)-2-methylindol-5-yl]-2,5-dihydropyrrole-1-carboxamide (CID 118788632) is 2-ethyl-N-[1-(2-methoxyethyl)-2-methylindol-5-yl]-2,5-dihydropyrrole-1-carboxamide.
What is the SMILES notation for 2-ethyl-N-[1-(2-methoxyethyl)-2-methylindol-5-yl]-2,5-dihydropyrrole-1-carboxamide?
The canonical SMILES for 2-ethyl-N-[1-(2-methoxyethyl)-2-methylindol-5-yl]-2,5-dihydropyrrole-1-carboxamide is CCC1C=CCN1C(=O)Nc1ccc2c(c1)cc(C)n2CCOC.
What is the InChIKey of 2-ethyl-N-[1-(2-methoxyethyl)-2-methylindol-5-yl]-2,5-dihydropyrrole-1-carboxamide?
The InChIKey is IRDQQMFQWSFLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-4-17-6-5-9-22(17)19(23)20-16-7-8-18-15(13-16)12-14(2)21(18)10-11-24-3/h5-8,12-13,17H,4,9-11H2,1-3H3,(H,20,23).
What are the key properties of 2-ethyl-N-[1-(2-methoxyethyl)-2-methylindol-5-yl]-2,5-dihydropyrrole-1-carboxamide?
2-ethyl-N-[1-(2-methoxyethyl)-2-methylindol-5-yl]-2,5-dihydropyrrole-1-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-(2-methoxyethyl)-2-methylindol-5-yl]-2,5-dihydropyrrole-1-carboxamide is sourced from PubChem (CID 118788632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).