N-benzyl-4-(dimethylamino)-3-pyrrolidin-1-ylbenzamide

C20H25N3O — CID 57086415

IUPACN-benzyl-4-(dimethylamino)-3-pyrrolidin-1-ylbenzamide
SMILESCN(C)c1ccc(C(=O)NCc2ccccc2)cc1N1CCCC1
InChIInChI=1S/C20H25N3O/c1-22(2)18-11-10-17(14-19(18)23-12-6-7-13-23)20(24)21-15-16-8-4-3-5-9-16/h3-5,8-11,14H,6-7,12-13,15H2,1-2H3,(H,21,24)
InChIKeyFCQQEIMSWSFVPI-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.28
Rot. Bonds5

About N-benzyl-4-(dimethylamino)-3-pyrrolidin-1-ylbenzamide

N-benzyl-4-(dimethylamino)-3-pyrrolidin-1-ylbenzamide (PubChem CID 57086415) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-benzyl-4-(dimethylamino)-3-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-benzyl-4-(dimethylamino)-3-pyrrolidin-1-ylbenzamide
PubChem CID57086415
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-benzyl-4-(dimethylamino)-3-pyrrolidin-1-ylbenzamide
SMILESCN(C)c1ccc(C(=O)NCc2ccccc2)cc1N1CCCC1
InChIInChI=1S/C20H25N3O/c1-22(2)18-11-10-17(14-19(18)23-12-6-7-13-23)20(24)21-15-16-8-4-3-5-9-16/h3-5,8-11,14H,6-7,12-13,15H2,1-2H3,(H,21,24)
InChIKeyFCQQEIMSWSFVPI-UHFFFAOYSA-N
XLogP3.28
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)methyl]-3-(2-phenylethylcarbamoylamino)-4-pyrrolidin-1-ylbenzamide
CID 20964867
N-benzyl-5-methyl-12-oxo-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
CID 91809756
N-[(3-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 91394219
N-benzyl-5-ethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 46344036
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 46401358
N-benzyl-6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide
CID 46349889
N-benzyl-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1331917
4-methyl-3-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 46977362
N-benzyl-5-ethyl-12-oxo-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
CID 91907475
N-benzyl-4-(4-methylpiperazin-1-yl)-3-sulfamoylbenzamide;hydrochloride
CID 21430500
N-benzyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1379220
N-benzyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 3443587

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(dimethylamino)-3-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-benzyl-4-(dimethylamino)-3-pyrrolidin-1-ylbenzamide (CID 57086415) is N-benzyl-4-(dimethylamino)-3-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-benzyl-4-(dimethylamino)-3-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-benzyl-4-(dimethylamino)-3-pyrrolidin-1-ylbenzamide is CN(C)c1ccc(C(=O)NCc2ccccc2)cc1N1CCCC1.
What is the InChIKey of N-benzyl-4-(dimethylamino)-3-pyrrolidin-1-ylbenzamide?
The InChIKey is FCQQEIMSWSFVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-22(2)18-11-10-17(14-19(18)23-12-6-7-13-23)20(24)21-15-16-8-4-3-5-9-16/h3-5,8-11,14H,6-7,12-13,15H2,1-2H3,(H,21,24).
What are the key properties of N-benzyl-4-(dimethylamino)-3-pyrrolidin-1-ylbenzamide?
N-benzyl-4-(dimethylamino)-3-pyrrolidin-1-ylbenzamide has a molecular weight of 323.44 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(dimethylamino)-3-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 57086415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).