3-amino-4-(3,3-diethylpyrrolidin-1-yl)-N-methylbenzamide

C16H25N3O — CID 83000296

IUPAC3-amino-4-(3,3-diethylpyrrolidin-1-yl)-N-methylbenzamide
SMILESCCC1(CC)CCN(c2ccc(C(=O)NC)cc2N)C1
InChIInChI=1S/C16H25N3O/c1-4-16(5-2)8-9-19(11-16)14-7-6-12(10-13(14)17)15(20)18-3/h6-7,10H,4-5,8-9,11,17H2,1-3H3,(H,18,20)
InChIKeyTYEHMWLCEOADEF-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.64
Rot. Bonds4

About 3-amino-4-(3,3-diethylpyrrolidin-1-yl)-N-methylbenzamide

3-amino-4-(3,3-diethylpyrrolidin-1-yl)-N-methylbenzamide (PubChem CID 83000296) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-amino-4-(3,3-diethylpyrrolidin-1-yl)-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-(3,3-diethylpyrrolidin-1-yl)-N-methylbenzamide
PubChem CID83000296
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-amino-4-(3,3-diethylpyrrolidin-1-yl)-N-methylbenzamide
SMILESCCC1(CC)CCN(c2ccc(C(=O)NC)cc2N)C1
InChIInChI=1S/C16H25N3O/c1-4-16(5-2)8-9-19(11-16)14-7-6-12(10-13(14)17)15(20)18-3/h6-7,10H,4-5,8-9,11,17H2,1-3H3,(H,18,20)
InChIKeyTYEHMWLCEOADEF-UHFFFAOYSA-N
XLogP2.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.64
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

3-amino-4-(4,4-diethylpiperidin-1-yl)benzamide
CID 63160333
3-amino-N-methyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)benzamide
CID 102742783
3-amino-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]benzoic acid
CID 106321390
3-amino-N-methyl-4-(4-propan-2-ylazepan-1-yl)benzamide
CID 82992166
3-bromo-4-(3,3-diethylpyrrolidin-1-yl)benzoic acid
CID 82800705
4-amino-3-(azocan-1-yl)-N-methylbenzamide
CID 63356679
3-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylbenzamide
CID 82999420
3-amino-N-methyl-4-(2-methylmorpholin-4-yl)benzamide
CID 82989034
4-amino-3-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-methylbenzamide
CID 107452858
4-[(4,4-diethylpiperidin-1-yl)methyl]-N,3-dimethylbenzamide
CID 167678619
3-amino-N-methyl-4-(2-methylpyrrolidin-1-yl)benzamide
CID 82989332
3-amino-N-ethyl-4-(4-ethylpiperazin-1-yl)benzamide
CID 83000329

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3,3-diethylpyrrolidin-1-yl)-N-methylbenzamide?
The IUPAC name of 3-amino-4-(3,3-diethylpyrrolidin-1-yl)-N-methylbenzamide (CID 83000296) is 3-amino-4-(3,3-diethylpyrrolidin-1-yl)-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-(3,3-diethylpyrrolidin-1-yl)-N-methylbenzamide?
The canonical SMILES for 3-amino-4-(3,3-diethylpyrrolidin-1-yl)-N-methylbenzamide is CCC1(CC)CCN(c2ccc(C(=O)NC)cc2N)C1.
What is the InChIKey of 3-amino-4-(3,3-diethylpyrrolidin-1-yl)-N-methylbenzamide?
The InChIKey is TYEHMWLCEOADEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-16(5-2)8-9-19(11-16)14-7-6-12(10-13(14)17)15(20)18-3/h6-7,10H,4-5,8-9,11,17H2,1-3H3,(H,18,20).
What are the key properties of 3-amino-4-(3,3-diethylpyrrolidin-1-yl)-N-methylbenzamide?
3-amino-4-(3,3-diethylpyrrolidin-1-yl)-N-methylbenzamide has a molecular weight of 275.40 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3,3-diethylpyrrolidin-1-yl)-N-methylbenzamide is sourced from PubChem (CID 83000296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).