N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5-ethyl-1H-pyrrole-2-carboxamide

C17H21N3O2 — CID 91779909

IUPACN-[[3-(dimethylcarbamoyl)phenyl]methyl]-5-ethyl-1H-pyrrole-2-carboxamide
SMILESCCc1ccc(C(=O)NCc2cccc(C(=O)N(C)C)c2)[nH]1
InChIInChI=1S/C17H21N3O2/c1-4-14-8-9-15(19-14)16(21)18-11-12-6-5-7-13(10-12)17(22)20(2)3/h5-10,19H,4,11H2,1-3H3,(H,18,21)
InChIKeyCYFXEYWOSYWMNU-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.21
Rot. Bonds5

About N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5-ethyl-1H-pyrrole-2-carboxamide

N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5-ethyl-1H-pyrrole-2-carboxamide (PubChem CID 91779909) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5-ethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(dimethylcarbamoyl)phenyl]methyl]-5-ethyl-1H-pyrrole-2-carboxamide
PubChem CID91779909
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[[3-(dimethylcarbamoyl)phenyl]methyl]-5-ethyl-1H-pyrrole-2-carboxamide
SMILESCCc1ccc(C(=O)NCc2cccc(C(=O)N(C)C)c2)[nH]1
InChIInChI=1S/C17H21N3O2/c1-4-14-8-9-15(19-14)16(21)18-11-12-6-5-7-13(10-12)17(22)20(2)3/h5-10,19H,4,11H2,1-3H3,(H,18,21)
InChIKeyCYFXEYWOSYWMNU-UHFFFAOYSA-N
XLogP2.21
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5-ethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5-ethyl-1H-pyrrole-2-carboxamide (CID 91779909) is N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5-ethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5-ethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5-ethyl-1H-pyrrole-2-carboxamide is CCc1ccc(C(=O)NCc2cccc(C(=O)N(C)C)c2)[nH]1.
What is the InChIKey of N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5-ethyl-1H-pyrrole-2-carboxamide?
The InChIKey is CYFXEYWOSYWMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-4-14-8-9-15(19-14)16(21)18-11-12-6-5-7-13(10-12)17(22)20(2)3/h5-10,19H,4,11H2,1-3H3,(H,18,21).
What are the key properties of N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5-ethyl-1H-pyrrole-2-carboxamide?
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5-ethyl-1H-pyrrole-2-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5-ethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 91779909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).