1-ethyl-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]pyrrole-2-carboxamide

C17H18N2O2 — CID 60803131

IUPAC1-ethyl-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]pyrrole-2-carboxamide
SMILESCCn1cccc1C(=O)Nc1ccc(C)cc1C#CCO
InChIInChI=1S/C17H18N2O2/c1-3-19-10-4-7-16(19)17(21)18-15-9-8-13(2)12-14(15)6-5-11-20/h4,7-10,12,20H,3,11H2,1-2H3,(H,18,21)
InChIKeyDSEJULRJBCVZJJ-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.41
Rot. Bonds3

About 1-ethyl-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]pyrrole-2-carboxamide

1-ethyl-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]pyrrole-2-carboxamide (PubChem CID 60803131) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-ethyl-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]pyrrole-2-carboxamide
PubChem CID60803131
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-ethyl-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]pyrrole-2-carboxamide
SMILESCCn1cccc1C(=O)Nc1ccc(C)cc1C#CCO
InChIInChI=1S/C17H18N2O2/c1-3-19-10-4-7-16(19)17(21)18-15-9-8-13(2)12-14(15)6-5-11-20/h4,7-10,12,20H,3,11H2,1-2H3,(H,18,21)
InChIKeyDSEJULRJBCVZJJ-UHFFFAOYSA-N
XLogP2.41
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]carbamate
CID 60813703
N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-methylpropanamide
CID 60803475
4,5-dichloro-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-1H-pyrrole-2-carboxamide
CID 60805065
N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-3-methylbutanamide
CID 60804524
5-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid
CID 43639041
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
CID 81259426
N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-2-pyridin-2-ylacetamide
CID 60802619
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-1-ethylpyrrole-2-carboxamide
CID 65435488
1-ethyl-N-(4-iodophenyl)pyrrole-2-carboxamide
CID 61400251
N-(5-bromo-2-chlorophenyl)-1-ethylpyrrole-2-carboxamide
CID 62908256
N-(3,5-dichloro-2-hydroxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 107675583
N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-3-methylpiperidine-1-carboxamide
CID 79158595

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]pyrrole-2-carboxamide?
The IUPAC name of 1-ethyl-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]pyrrole-2-carboxamide (CID 60803131) is 1-ethyl-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-ethyl-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-ethyl-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]pyrrole-2-carboxamide is CCn1cccc1C(=O)Nc1ccc(C)cc1C#CCO.
What is the InChIKey of 1-ethyl-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]pyrrole-2-carboxamide?
The InChIKey is DSEJULRJBCVZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-3-19-10-4-7-16(19)17(21)18-15-9-8-13(2)12-14(15)6-5-11-20/h4,7-10,12,20H,3,11H2,1-2H3,(H,18,21).
What are the key properties of 1-ethyl-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]pyrrole-2-carboxamide?
1-ethyl-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]pyrrole-2-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]pyrrole-2-carboxamide is sourced from PubChem (CID 60803131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).