N-ethyl-3,5-dimethyl-4-(2-phenoxyacetyl)-1H-pyrrole-2-carboxamide

C17H20N2O3 — CID 42856644

IUPACN-ethyl-3,5-dimethyl-4-(2-phenoxyacetyl)-1H-pyrrole-2-carboxamide
SMILESCCNC(=O)c1[nH]c(C)c(C(=O)COc2ccccc2)c1C
InChIInChI=1S/C17H20N2O3/c1-4-18-17(21)16-11(2)15(12(3)19-16)14(20)10-22-13-8-6-5-7-9-13/h5-9,19H,4,10H2,1-3H3,(H,18,21)
InChIKeyDLJBYYCXAPBGPN-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.64
Rot. Bonds6

About N-ethyl-3,5-dimethyl-4-(2-phenoxyacetyl)-1H-pyrrole-2-carboxamide

N-ethyl-3,5-dimethyl-4-(2-phenoxyacetyl)-1H-pyrrole-2-carboxamide (PubChem CID 42856644) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-ethyl-3,5-dimethyl-4-(2-phenoxyacetyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-3,5-dimethyl-4-(2-phenoxyacetyl)-1H-pyrrole-2-carboxamide
PubChem CID42856644
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-ethyl-3,5-dimethyl-4-(2-phenoxyacetyl)-1H-pyrrole-2-carboxamide
SMILESCCNC(=O)c1[nH]c(C)c(C(=O)COc2ccccc2)c1C
InChIInChI=1S/C17H20N2O3/c1-4-18-17(21)16-11(2)15(12(3)19-16)14(20)10-22-13-8-6-5-7-9-13/h5-9,19H,4,10H2,1-3H3,(H,18,21)
InChIKeyDLJBYYCXAPBGPN-UHFFFAOYSA-N
XLogP2.64
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3,5-dimethyl-4-[2-(4-propanoylphenoxy)acetyl]-1H-pyrrole-2-carboxylate
CID 16596078
N-butan-2-yl-4-[2-(3,5-dimethylphenoxy)acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 42856625
4-acetyl-3,5-dimethyl-N-(3-phenylprop-2-ynyl)-1H-pyrrole-2-carboxamide
CID 51332477
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-fluorophenoxy)ethanone
CID 9415675
methyl 5-[2-(4-bromophenoxy)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 26218062
4-acetyl-3,5-dimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]-1H-pyrrole-2-carbohydrazide
CID 31466059
ethyl 3,5-dimethyl-4-[2-[2-[methyl(phenyl)carbamoyl]benzoyl]oxyacetyl]-1H-pyrrole-2-carboxylate
CID 16593074
methyl 2,4-dimethyl-5-(2-phenylsulfanylethylcarbamoyl)-1H-pyrrole-3-carboxylate
CID 34440664
[2-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 41489883
ethyl 5-[2-(2-methoxyphenoxy)ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 9167483
ethyl 5-[2-(2-benzamidoacetyl)oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 55318842
ethyl 5-[4-(4-fluorophenoxy)butylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 42572307

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5-dimethyl-4-(2-phenoxyacetyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-ethyl-3,5-dimethyl-4-(2-phenoxyacetyl)-1H-pyrrole-2-carboxamide (CID 42856644) is N-ethyl-3,5-dimethyl-4-(2-phenoxyacetyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-ethyl-3,5-dimethyl-4-(2-phenoxyacetyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-ethyl-3,5-dimethyl-4-(2-phenoxyacetyl)-1H-pyrrole-2-carboxamide is CCNC(=O)c1[nH]c(C)c(C(=O)COc2ccccc2)c1C.
What is the InChIKey of N-ethyl-3,5-dimethyl-4-(2-phenoxyacetyl)-1H-pyrrole-2-carboxamide?
The InChIKey is DLJBYYCXAPBGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-4-18-17(21)16-11(2)15(12(3)19-16)14(20)10-22-13-8-6-5-7-9-13/h5-9,19H,4,10H2,1-3H3,(H,18,21).
What are the key properties of N-ethyl-3,5-dimethyl-4-(2-phenoxyacetyl)-1H-pyrrole-2-carboxamide?
N-ethyl-3,5-dimethyl-4-(2-phenoxyacetyl)-1H-pyrrole-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5-dimethyl-4-(2-phenoxyacetyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 42856644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).