5-[[N-(2-hydroxyethyl)anilino]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide

C16H21N3O2 — CID 99793381

IUPAC5-[[N-(2-hydroxyethyl)anilino]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide
SMILESCN(C)C(=O)c1ccc(CN(CCO)c2ccccc2)[nH]1
InChIInChI=1S/C16H21N3O2/c1-18(2)16(21)15-9-8-13(17-15)12-19(10-11-20)14-6-4-3-5-7-14/h3-9,17,20H,10-12H2,1-2H3
InChIKeyNIKQNMKGLGTGND-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.72
Rot. Bonds6

About 5-[[N-(2-hydroxyethyl)anilino]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide

5-[[N-(2-hydroxyethyl)anilino]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 99793381) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-[[N-(2-hydroxyethyl)anilino]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-[[N-(2-hydroxyethyl)anilino]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID99793381
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name5-[[N-(2-hydroxyethyl)anilino]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide
SMILESCN(C)C(=O)c1ccc(CN(CCO)c2ccccc2)[nH]1
InChIInChI=1S/C16H21N3O2/c1-18(2)16(21)15-9-8-13(17-15)12-19(10-11-20)14-6-4-3-5-7-14/h3-9,17,20H,10-12H2,1-2H3
InChIKeyNIKQNMKGLGTGND-UHFFFAOYSA-N
XLogP1.72
TPSA59.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[N-(2-hydroxyethyl)anilino]methyl]-N,N-dimethylbenzamide
CID 111544007
acetic acid;2-[N-(2-hydroxyethyl)anilino]ethanol
CID 22412424
N,N-dimethyl-5-[[methyl-[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]methyl]-1H-pyrrole-2-carboxamide
CID 97158969
2-[N-(2-hydroxyethyl)anilino]ethanol;hydrobromide
CID 21388011
5-[[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide
CID 84593385
N-ethyl-2-[N-(2-hydroxyethyl)anilino]acetamide
CID 110880306
N-benzyl-2-[N-(2-hydroxyethyl)anilino]-N-methylacetamide
CID 110877169
N-(2-hydroxyethyl)-N-phenylacetamide
CID 11344342
N-[3-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]acetamide
CID 71973103
1-N,2-N-bis(2-hydroxyethyl)-1-N,2-N-dimethylbenzene-1,2-dicarboxamide
CID 54303134
2-[N-[2-(diethylamino)ethyl]anilino]ethanol
CID 110016854
N-(2-hydroxyethyl)-N-methyl-2-(N-methylanilino)benzamide
CID 110893882

Frequently Asked Questions

What is the IUPAC name of 5-[[N-(2-hydroxyethyl)anilino]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 5-[[N-(2-hydroxyethyl)anilino]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide (CID 99793381) is 5-[[N-(2-hydroxyethyl)anilino]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 5-[[N-(2-hydroxyethyl)anilino]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 5-[[N-(2-hydroxyethyl)anilino]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide is CN(C)C(=O)c1ccc(CN(CCO)c2ccccc2)[nH]1.
What is the InChIKey of 5-[[N-(2-hydroxyethyl)anilino]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is NIKQNMKGLGTGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-18(2)16(21)15-9-8-13(17-15)12-19(10-11-20)14-6-4-3-5-7-14/h3-9,17,20H,10-12H2,1-2H3.
What are the key properties of 5-[[N-(2-hydroxyethyl)anilino]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide?
5-[[N-(2-hydroxyethyl)anilino]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[N-(2-hydroxyethyl)anilino]methyl]-N,N-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 99793381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).