2-(2-aminoethyl)-N-(2,5-dimethylpyrrol-1-yl)benzamide

C15H19N3O — CID 79106240

IUPAC2-(2-aminoethyl)-N-(2,5-dimethylpyrrol-1-yl)benzamide
SMILESCc1ccc(C)n1NC(=O)c1ccccc1CCN
InChIInChI=1S/C15H19N3O/c1-11-7-8-12(2)18(11)17-15(19)14-6-4-3-5-13(14)9-10-16/h3-8H,9-10,16H2,1-2H3,(H,17,19)
InChIKeySHDASZQNMXFQIR-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.99
Rot. Bonds4

About 2-(2-aminoethyl)-N-(2,5-dimethylpyrrol-1-yl)benzamide

2-(2-aminoethyl)-N-(2,5-dimethylpyrrol-1-yl)benzamide (PubChem CID 79106240) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(2,5-dimethylpyrrol-1-yl)benzamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(2,5-dimethylpyrrol-1-yl)benzamide
PubChem CID79106240
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-(2-aminoethyl)-N-(2,5-dimethylpyrrol-1-yl)benzamide
SMILESCc1ccc(C)n1NC(=O)c1ccccc1CCN
InChIInChI=1S/C15H19N3O/c1-11-7-8-12(2)18(11)17-15(19)14-6-4-3-5-13(14)9-10-16/h3-8H,9-10,16H2,1-2H3,(H,17,19)
InChIKeySHDASZQNMXFQIR-UHFFFAOYSA-N
XLogP1.99
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(2-aminoethyl)-N-[(1-methylpyrrol-2-yl)methyl]benzamide
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2-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
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2-(2-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
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CID 79797957

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(2,5-dimethylpyrrol-1-yl)benzamide?
The IUPAC name of 2-(2-aminoethyl)-N-(2,5-dimethylpyrrol-1-yl)benzamide (CID 79106240) is 2-(2-aminoethyl)-N-(2,5-dimethylpyrrol-1-yl)benzamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(2,5-dimethylpyrrol-1-yl)benzamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(2,5-dimethylpyrrol-1-yl)benzamide is Cc1ccc(C)n1NC(=O)c1ccccc1CCN.
What is the InChIKey of 2-(2-aminoethyl)-N-(2,5-dimethylpyrrol-1-yl)benzamide?
The InChIKey is SHDASZQNMXFQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-7-8-12(2)18(11)17-15(19)14-6-4-3-5-13(14)9-10-16/h3-8H,9-10,16H2,1-2H3,(H,17,19).
What are the key properties of 2-(2-aminoethyl)-N-(2,5-dimethylpyrrol-1-yl)benzamide?
2-(2-aminoethyl)-N-(2,5-dimethylpyrrol-1-yl)benzamide has a molecular weight of 257.34 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(2,5-dimethylpyrrol-1-yl)benzamide is sourced from PubChem (CID 79106240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).