4-acetyl-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide

C16H18N2O3 — CID 24546550

IUPAC4-acetyl-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)N(C)CCOc2ccccc2)c1
InChIInChI=1S/C16H18N2O3/c1-12(19)13-10-15(17-11-13)16(20)18(2)8-9-21-14-6-4-3-5-7-14/h3-7,10-11,17H,8-9H2,1-2H3
InChIKeyVXVGKYNHSDPSHM-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.37
Rot. Bonds6

About 4-acetyl-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide

4-acetyl-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide (PubChem CID 24546550) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-acetyl-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide
PubChem CID24546550
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-acetyl-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)N(C)CCOc2ccccc2)c1
InChIInChI=1S/C16H18N2O3/c1-12(19)13-10-15(17-11-13)16(20)18(2)8-9-21-14-6-4-3-5-7-14/h3-7,10-11,17H,8-9H2,1-2H3
InChIKeyVXVGKYNHSDPSHM-UHFFFAOYSA-N
XLogP2.37
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide
CID 61114831
4-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide
CID 61139584
N-methyl-N-(2-phenoxyethyl)thiophene-2-carboxamide
CID 60630814
4-fluoro-N-methyl-N-(2-phenoxyethyl)-1H-indole-2-carboxamide
CID 31401161
N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676178
2-bromo-N-methyl-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 103751913
4-chloro-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide
CID 18120198
4-acetyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 38545760
N-methyl-3-oxo-N-(2-phenoxyethyl)butanamide
CID 54876649
N-[2-(4-acetylphenoxy)ethyl]-N-methylacetamide
CID 82037432
N-[2-(2-chlorophenoxy)ethyl]-4-cyano-N-methyl-1H-pyrrole-2-carboxamide
CID 75376412
N-methyl-3-methylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 27822055

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide (CID 24546550) is 4-acetyl-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)N(C)CCOc2ccccc2)c1.
What is the InChIKey of 4-acetyl-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is VXVGKYNHSDPSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-12(19)13-10-15(17-11-13)16(20)18(2)8-9-21-14-6-4-3-5-7-14/h3-7,10-11,17H,8-9H2,1-2H3.
What are the key properties of 4-acetyl-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide?
4-acetyl-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 24546550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).