4-amino-3-(2,2-dimethylpyrrolidin-1-yl)-N-ethylbenzamide

C15H23N3O — CID 55188948

IUPAC4-amino-3-(2,2-dimethylpyrrolidin-1-yl)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N)c(N2CCCC2(C)C)c1
InChIInChI=1S/C15H23N3O/c1-4-17-14(19)11-6-7-12(16)13(10-11)18-9-5-8-15(18,2)3/h6-7,10H,4-5,8-9,16H2,1-3H3,(H,17,19)
InChIKeySHEANIWEWCMHNN-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.40
Rot. Bonds3

About 4-amino-3-(2,2-dimethylpyrrolidin-1-yl)-N-ethylbenzamide

4-amino-3-(2,2-dimethylpyrrolidin-1-yl)-N-ethylbenzamide (PubChem CID 55188948) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-amino-3-(2,2-dimethylpyrrolidin-1-yl)-N-ethylbenzamide.

Molecular Properties

Compound Name4-amino-3-(2,2-dimethylpyrrolidin-1-yl)-N-ethylbenzamide
PubChem CID55188948
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-amino-3-(2,2-dimethylpyrrolidin-1-yl)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N)c(N2CCCC2(C)C)c1
InChIInChI=1S/C15H23N3O/c1-4-17-14(19)11-6-7-12(16)13(10-11)18-9-5-8-15(18,2)3/h6-7,10H,4-5,8-9,16H2,1-3H3,(H,17,19)
InChIKeySHEANIWEWCMHNN-UHFFFAOYSA-N
XLogP2.40
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

4-amino-3-(2,2-dimethylpyrrolidin-1-yl)benzamide
CID 63356660
4-amino-N-ethyl-3-(3-hydroxypiperidin-1-yl)benzamide
CID 55189651
4-amino-N-ethyl-3-(2-methylmorpholin-4-yl)benzamide
CID 63360895
4-amino-N-ethyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]benzamide
CID 63360665
4-amino-3-(2,3-dihydroindol-1-yl)-N-ethylbenzamide
CID 63360633
4-amino-N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]benzamide
CID 106585831
4-amino-N-ethyl-3-(3-methylpyrazol-1-yl)benzamide
CID 63358993
4-amino-N-ethyl-3-[(1-methylcyclopentyl)methylamino]benzamide
CID 63820564
4-amino-3-(3,3-dimethylmorpholin-4-yl)-N-methylbenzamide
CID 63356955
3-amino-N-ethyl-4-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 82990696
4-amino-N-ethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 63358810
3-amino-N-ethyl-4-(4-ethylpiperazin-1-yl)benzamide
CID 83000329

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2,2-dimethylpyrrolidin-1-yl)-N-ethylbenzamide?
The IUPAC name of 4-amino-3-(2,2-dimethylpyrrolidin-1-yl)-N-ethylbenzamide (CID 55188948) is 4-amino-3-(2,2-dimethylpyrrolidin-1-yl)-N-ethylbenzamide.
What is the SMILES notation for 4-amino-3-(2,2-dimethylpyrrolidin-1-yl)-N-ethylbenzamide?
The canonical SMILES for 4-amino-3-(2,2-dimethylpyrrolidin-1-yl)-N-ethylbenzamide is CCNC(=O)c1ccc(N)c(N2CCCC2(C)C)c1.
What is the InChIKey of 4-amino-3-(2,2-dimethylpyrrolidin-1-yl)-N-ethylbenzamide?
The InChIKey is SHEANIWEWCMHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-17-14(19)11-6-7-12(16)13(10-11)18-9-5-8-15(18,2)3/h6-7,10H,4-5,8-9,16H2,1-3H3,(H,17,19).
What are the key properties of 4-amino-3-(2,2-dimethylpyrrolidin-1-yl)-N-ethylbenzamide?
4-amino-3-(2,2-dimethylpyrrolidin-1-yl)-N-ethylbenzamide has a molecular weight of 261.37 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2,2-dimethylpyrrolidin-1-yl)-N-ethylbenzamide is sourced from PubChem (CID 55188948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).