4-amino-2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N,N-dimethylbenzamide

C14H21N3O2 — CID 103355246

IUPAC4-amino-2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N)cc1N1CCC(C)(O)C1
InChIInChI=1S/C14H21N3O2/c1-14(19)6-7-17(9-14)12-8-10(15)4-5-11(12)13(18)16(2)3/h4-5,8,19H,6-7,9,15H2,1-3H3
InChIKeyRCBQRZXLTJDFGN-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.93
Rot. Bonds2

About 4-amino-2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N,N-dimethylbenzamide

4-amino-2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N,N-dimethylbenzamide (PubChem CID 103355246) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-amino-2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-amino-2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N,N-dimethylbenzamide
PubChem CID103355246
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-amino-2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N)cc1N1CCC(C)(O)C1
InChIInChI=1S/C14H21N3O2/c1-14(19)6-7-17(9-14)12-8-10(15)4-5-11(12)13(18)16(2)3/h4-5,8,19H,6-7,9,15H2,1-3H3
InChIKeyRCBQRZXLTJDFGN-UHFFFAOYSA-N
XLogP0.93
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N,N-dimethylbenzamide?
The IUPAC name of 4-amino-2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N,N-dimethylbenzamide (CID 103355246) is 4-amino-2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N,N-dimethylbenzamide.
What is the SMILES notation for 4-amino-2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N,N-dimethylbenzamide?
The canonical SMILES for 4-amino-2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(N)cc1N1CCC(C)(O)C1.
What is the InChIKey of 4-amino-2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N,N-dimethylbenzamide?
The InChIKey is RCBQRZXLTJDFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(19)6-7-17(9-14)12-8-10(15)4-5-11(12)13(18)16(2)3/h4-5,8,19H,6-7,9,15H2,1-3H3.
What are the key properties of 4-amino-2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N,N-dimethylbenzamide?
4-amino-2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N,N-dimethylbenzamide has a molecular weight of 263.34 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N,N-dimethylbenzamide is sourced from PubChem (CID 103355246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).