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

C15H24N4O — CID 63358501

IUPAC4-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N)c(N2CCC(N(C)C)C2)c1
InChIInChI=1S/C15H24N4O/c1-17(2)12-7-8-19(10-12)14-9-11(5-6-13(14)16)15(20)18(3)4/h5-6,9,12H,7-8,10,16H2,1-4H3
InChIKeyYWIUKGBIDSXOGP-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.11
Rot. Bonds3

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

4-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethylbenzamide (PubChem CID 63358501) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethylbenzamide
PubChem CID63358501
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N)c(N2CCC(N(C)C)C2)c1
InChIInChI=1S/C15H24N4O/c1-17(2)12-7-8-19(10-12)14-9-11(5-6-13(14)16)15(20)18(3)4/h5-6,9,12H,7-8,10,16H2,1-4H3
InChIKeyYWIUKGBIDSXOGP-UHFFFAOYSA-N
XLogP1.11
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.11
H-Bond Donors ≤ 51
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)pyrrolidin-1-yl]benzoic acid
CID 63174789
3-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzamide
CID 83000134
ethyl 4-amino-3-[4-(dimethylamino)piperidin-1-yl]benzoate
CID 82777264
4-amino-3-(3-hydroxy-3-methylpyrrolidin-1-yl)-N,N-dimethylbenzamide
CID 103355273
3-bromo-4-[3-(dimethylamino)pyrrolidin-1-yl]benzoic acid
CID 82801317
4-[3-(dimethylamino)pyrrolidin-1-yl]-3-fluorobenzoic acid
CID 63164456
4-amino-3-(7,7-dimethyl-1,4-thiazepan-4-yl)-N,N-dimethylbenzamide
CID 107453044
3-amino-4-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethylbenzamide
CID 82990194
3-amino-4-[3-(dimethylamino)piperidin-1-yl]-N-ethylbenzamide
CID 82990426
4-amino-N,N-dimethyl-3-(4-methyl-3-oxo-1,4-diazepan-1-yl)benzamide
CID 102888377
4-amino-3-(2,3-dihydroindol-1-yl)-N,N-dimethylbenzamide
CID 63360632
1-(2-amino-4-fluorophenyl)-N,N-dimethylpyrrolidin-3-amine
CID 63164395

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethylbenzamide (CID 63358501) is 4-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(N)c(N2CCC(N(C)C)C2)c1.
What is the InChIKey of 4-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethylbenzamide?
The InChIKey is YWIUKGBIDSXOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-17(2)12-7-8-19(10-12)14-9-11(5-6-13(14)16)15(20)18(3)4/h5-6,9,12H,7-8,10,16H2,1-4H3.
What are the key properties of 4-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethylbenzamide?
4-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 63358501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).