5-[[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide

C20H25N3O2 — CID 84593385

IUPAC5-[[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide
SMILESCCc1oc2ccccc2c1CN(C)Cc1ccc(C(=O)N(C)C)[nH]1
InChIInChI=1S/C20H25N3O2/c1-5-18-16(15-8-6-7-9-19(15)25-18)13-23(4)12-14-10-11-17(21-14)20(24)22(2)3/h6-11,21H,5,12-13H2,1-4H3
InChIKeyNYQCBOGRCUKAIA-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.66
Rot. Bonds6

About 5-[[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide

5-[[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 84593385) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 5-[[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-[[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID84593385
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name5-[[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide
SMILESCCc1oc2ccccc2c1CN(C)Cc1ccc(C(=O)N(C)C)[nH]1
InChIInChI=1S/C20H25N3O2/c1-5-18-16(15-8-6-7-9-19(15)25-18)13-23(4)12-14-10-11-17(21-14)20(24)22(2)3/h6-11,21H,5,12-13H2,1-4H3
InChIKeyNYQCBOGRCUKAIA-UHFFFAOYSA-N
XLogP3.66
TPSA52.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride
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CID 78819087
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-3-phenylpropanamide
CID 55428710
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CID 55759840
4-[[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
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1-(2-ethyl-1-benzofuran-3-yl)-N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylmethanamine
CID 78826570
1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-propylthiourea
CID 8563844
(2S)-2-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N,4-dimethylpentanamide
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Frequently Asked Questions

What is the IUPAC name of 5-[[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 5-[[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide (CID 84593385) is 5-[[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 5-[[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 5-[[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide is CCc1oc2ccccc2c1CN(C)Cc1ccc(C(=O)N(C)C)[nH]1.
What is the InChIKey of 5-[[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is NYQCBOGRCUKAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-5-18-16(15-8-6-7-9-19(15)25-18)13-23(4)12-14-10-11-17(21-14)20(24)22(2)3/h6-11,21H,5,12-13H2,1-4H3.
What are the key properties of 5-[[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide?
5-[[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 84593385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).