4-amino-N-benzyl-1-ethyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide

C16H21N3O2 — CID 61105047

IUPAC4-amino-N-benzyl-1-ethyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C16H21N3O2/c1-2-18-12-14(17)10-15(18)16(21)19(8-9-20)11-13-6-4-3-5-7-13/h3-7,10,12,20H,2,8-9,11,17H2,1H3
InChIKeyQIEMAYPDSVIEOD-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.72
Rot. Bonds6

About 4-amino-N-benzyl-1-ethyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide

4-amino-N-benzyl-1-ethyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide (PubChem CID 61105047) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-amino-N-benzyl-1-ethyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-benzyl-1-ethyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide
PubChem CID61105047
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-amino-N-benzyl-1-ethyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)N(CCO)Cc1ccccc1
InChIInChI=1S/C16H21N3O2/c1-2-18-12-14(17)10-15(18)16(21)19(8-9-20)11-13-6-4-3-5-7-13/h3-7,10,12,20H,2,8-9,11,17H2,1H3
InChIKeyQIEMAYPDSVIEOD-UHFFFAOYSA-N
XLogP1.72
TPSA71.49 Ų
H-Bond Donors2
H-Bond Acceptors4
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 ≤ 104

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Related Compounds

4-amino-1-ethyl-N-methyl-N-phenylpyrrole-2-carboxamide
CID 43641988
4-amino-N-butyl-1-ethyl-N-phenylpyrrole-2-carboxamide
CID 64586919
4-amino-1-ethyl-N,N-bis(3-methylbutyl)pyrrole-2-carboxamide
CID 61106069
4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 61113371
4-amino-N-benzyl-2-chloro-N-(2-hydroxyethyl)benzamide
CID 61107477
4-amino-1-ethyl-N-methyl-N-propylpyrrole-2-carboxamide
CID 43643448
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
N-benzyl-N-(2-hydroxyethyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 111565388
4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide
CID 61116342
4-amino-N-(2-hydroxyethyl)-1-methyl-N-propylpyrrole-2-carboxamide
CID 61105245
4-amino-N-butyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 61107524
5-amino-N-benzyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 81317200

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-1-ethyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-benzyl-1-ethyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide (CID 61105047) is 4-amino-N-benzyl-1-ethyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-benzyl-1-ethyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-benzyl-1-ethyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)N(CCO)Cc1ccccc1.
What is the InChIKey of 4-amino-N-benzyl-1-ethyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide?
The InChIKey is QIEMAYPDSVIEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-18-12-14(17)10-15(18)16(21)19(8-9-20)11-13-6-4-3-5-7-13/h3-7,10,12,20H,2,8-9,11,17H2,1H3.
What are the key properties of 4-amino-N-benzyl-1-ethyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide?
4-amino-N-benzyl-1-ethyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-1-ethyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 61105047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).