N-ethyl-N-(2-hydroxyethyl)-2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide

C18H24N2O2 — CID 78855060

IUPACN-ethyl-N-(2-hydroxyethyl)-2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide
SMILESCCN(CCO)C(=O)c1cc(C)n(-c2ccccc2C)c1C
InChIInChI=1S/C18H24N2O2/c1-5-19(10-11-21)18(22)16-12-14(3)20(15(16)4)17-9-7-6-8-13(17)2/h6-9,12,21H,5,10-11H2,1-4H3
InChIKeyNVMSVPFSCXTXQU-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.86
Rot. Bonds5

About N-ethyl-N-(2-hydroxyethyl)-2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide

N-ethyl-N-(2-hydroxyethyl)-2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide (PubChem CID 78855060) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide
PubChem CID78855060
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide
SMILESCCN(CCO)C(=O)c1cc(C)n(-c2ccccc2C)c1C
InChIInChI=1S/C18H24N2O2/c1-5-19(10-11-21)18(22)16-12-14(3)20(15(16)4)17-9-7-6-8-13(17)2/h6-9,12,21H,5,10-11H2,1-4H3
InChIKeyNVMSVPFSCXTXQU-UHFFFAOYSA-N
XLogP2.86
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

2-[ethyl(2-hydroxyethyl)carbamoyl]benzoic acid
CID 60662044
methyl 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate
CID 94788727
N-benzyl-N-ethyl-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 59808050
N-(2-acetamidoethyl)-2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide
CID 167775581
N-[2-(2-ethylanilino)-2-oxoethyl]-N,2,5-trimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide
CID 55348131
N,2,5-trimethyl-1-(2-methylphenyl)-N-piperidin-4-ylpyrrole-3-carboxamide
CID 119444278
N-ethyl-5-fluoro-N-(2-hydroxyethyl)-2-methylbenzamide
CID 60706405
1-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-2-pyrrolidin-1-ylethanone
CID 53355380
N,2,5-trimethyl-1-(2-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide
CID 119554350
[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]-imidazol-1-ylmethanone
CID 95927975
1-[2-[3-(diethylcarbamoyl)phenyl]phenyl]-2,5-dimethylpyrrole-3-carboxylic acid
CID 69123753
1-ethyl-1-(2-hydroxyethyl)-3-[(2-methylphenyl)methyl]urea
CID 108897193

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide (CID 78855060) is N-ethyl-N-(2-hydroxyethyl)-2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide is CCN(CCO)C(=O)c1cc(C)n(-c2ccccc2C)c1C.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide?
The InChIKey is NVMSVPFSCXTXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-5-19(10-11-21)18(22)16-12-14(3)20(15(16)4)17-9-7-6-8-13(17)2/h6-9,12,21H,5,10-11H2,1-4H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide?
N-ethyl-N-(2-hydroxyethyl)-2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 78855060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).