3-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzamide

C15H24N4O — CID 83000134

IUPAC3-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N2CCC(N(C)C)C2)c(N)c1
InChIInChI=1S/C15H24N4O/c1-4-17-15(20)11-5-6-14(13(16)9-11)19-8-7-12(10-19)18(2)3/h5-6,9,12H,4,7-8,10,16H2,1-3H3,(H,17,20)
InChIKeyGUHYBIVTCLYKFZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.16
Rot. Bonds4

About 3-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzamide

3-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzamide (PubChem CID 83000134) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzamide.

Molecular Properties

Compound Name3-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzamide
PubChem CID83000134
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name3-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N2CCC(N(C)C)C2)c(N)c1
InChIInChI=1S/C15H24N4O/c1-4-17-15(20)11-5-6-14(13(16)9-11)19-8-7-12(10-19)18(2)3/h5-6,9,12H,4,7-8,10,16H2,1-3H3,(H,17,20)
InChIKeyGUHYBIVTCLYKFZ-UHFFFAOYSA-N
XLogP1.16
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[3-(dimethylamino)piperidin-1-yl]-N-ethylbenzamide
CID 82990426
3-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]benzoic acid
CID 63174789
3-amino-N-ethyl-4-(3-hydroxy-4-methylpiperidin-1-yl)benzamide
CID 102955519
3-amino-N-ethyl-4-(4-ethylpiperazin-1-yl)benzamide
CID 83000329
3-amino-N-ethyl-4-[2-(hydroxymethyl)morpholin-4-yl]benzamide
CID 82999408
4-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethylbenzamide
CID 63358501
3-amino-N-ethyl-4-(2-ethylpyrrolidin-1-yl)benzamide
CID 83000265
4-amino-N-ethyl-3-(3-hydroxypiperidin-1-yl)benzamide
CID 55189651
1-[2-amino-4-(ethylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 82989882
3-amino-4-[(dimethylamino)methyl]-N-ethylbenzamide
CID 82165922
1-(2-amino-4-fluorophenyl)-N,N-dimethylpyrrolidin-3-amine
CID 63164395
3-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylbenzamide
CID 82999420

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzamide?
The IUPAC name of 3-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzamide (CID 83000134) is 3-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzamide.
What is the SMILES notation for 3-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzamide?
The canonical SMILES for 3-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzamide is CCNC(=O)c1ccc(N2CCC(N(C)C)C2)c(N)c1.
What is the InChIKey of 3-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzamide?
The InChIKey is GUHYBIVTCLYKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-4-17-15(20)11-5-6-14(13(16)9-11)19-8-7-12(10-19)18(2)3/h5-6,9,12H,4,7-8,10,16H2,1-3H3,(H,17,20).
What are the key properties of 3-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzamide?
3-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzamide is sourced from PubChem (CID 83000134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).