3-amino-N-ethyl-4-(2-ethylpyrrolidin-1-yl)benzamide

C15H23N3O — CID 83000265

IUPAC3-amino-N-ethyl-4-(2-ethylpyrrolidin-1-yl)benzamide
SMILESCCNC(=O)c1ccc(N2CCCC2CC)c(N)c1
InChIInChI=1S/C15H23N3O/c1-3-12-6-5-9-18(12)14-8-7-11(10-13(14)16)15(19)17-4-2/h7-8,10,12H,3-6,9,16H2,1-2H3,(H,17,19)
InChIKeyOQZDWBXBNWACHF-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.40
Rot. Bonds4

About 3-amino-N-ethyl-4-(2-ethylpyrrolidin-1-yl)benzamide

3-amino-N-ethyl-4-(2-ethylpyrrolidin-1-yl)benzamide (PubChem CID 83000265) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-(2-ethylpyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-(2-ethylpyrrolidin-1-yl)benzamide
PubChem CID83000265
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-amino-N-ethyl-4-(2-ethylpyrrolidin-1-yl)benzamide
SMILESCCNC(=O)c1ccc(N2CCCC2CC)c(N)c1
InChIInChI=1S/C15H23N3O/c1-3-12-6-5-9-18(12)14-8-7-11(10-13(14)16)15(19)17-4-2/h7-8,10,12H,3-6,9,16H2,1-2H3,(H,17,19)
InChIKeyOQZDWBXBNWACHF-UHFFFAOYSA-N
XLogP2.40
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-amino-4-(ethylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 82989882
4-amino-N-ethyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]benzamide
CID 63360665
3-amino-4-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylbenzamide
CID 82988577
ethyl 3-amino-4-[(2R)-2-ethylpiperidin-1-yl]benzoate
CID 86319026
3-amino-N-ethyl-4-[(2-ethylpiperidin-1-yl)methyl]benzamide
CID 82167845
3-amino-4-[2-(hydroxymethyl)azepan-1-yl]-N-methylbenzamide
CID 116633969
3-amino-4-[3-(dimethylamino)piperidin-1-yl]-N-ethylbenzamide
CID 82990426
3-amino-N-ethyl-4-(3-hydroxy-4-methylpiperidin-1-yl)benzamide
CID 102955519
3-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzamide
CID 83000134
3-amino-N-ethyl-4-(4-ethylpiperazin-1-yl)benzamide
CID 83000329
3-amino-N-methyl-4-(2-methylpyrrolidin-1-yl)benzamide
CID 82989332
methyl 3-amino-4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]benzoate
CID 62889597

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-(2-ethylpyrrolidin-1-yl)benzamide?
The IUPAC name of 3-amino-N-ethyl-4-(2-ethylpyrrolidin-1-yl)benzamide (CID 83000265) is 3-amino-N-ethyl-4-(2-ethylpyrrolidin-1-yl)benzamide.
What is the SMILES notation for 3-amino-N-ethyl-4-(2-ethylpyrrolidin-1-yl)benzamide?
The canonical SMILES for 3-amino-N-ethyl-4-(2-ethylpyrrolidin-1-yl)benzamide is CCNC(=O)c1ccc(N2CCCC2CC)c(N)c1.
What is the InChIKey of 3-amino-N-ethyl-4-(2-ethylpyrrolidin-1-yl)benzamide?
The InChIKey is OQZDWBXBNWACHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-12-6-5-9-18(12)14-8-7-11(10-13(14)16)15(19)17-4-2/h7-8,10,12H,3-6,9,16H2,1-2H3,(H,17,19).
What are the key properties of 3-amino-N-ethyl-4-(2-ethylpyrrolidin-1-yl)benzamide?
3-amino-N-ethyl-4-(2-ethylpyrrolidin-1-yl)benzamide has a molecular weight of 261.37 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-(2-ethylpyrrolidin-1-yl)benzamide is sourced from PubChem (CID 83000265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).