N-methyl-2-[2-(methylamino)ethyl]-N-(2-pyrrolidin-1-ylethyl)benzamide

C17H27N3O — CID 104547877

IUPACN-methyl-2-[2-(methylamino)ethyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCNCCc1ccccc1C(=O)N(C)CCN1CCCC1
InChIInChI=1S/C17H27N3O/c1-18-10-9-15-7-3-4-8-16(15)17(21)19(2)13-14-20-11-5-6-12-20/h3-4,7-8,18H,5-6,9-14H2,1-2H3
InChIKeyYVXQHCUAGNBGFX-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.62
Rot. Bonds7

About N-methyl-2-[2-(methylamino)ethyl]-N-(2-pyrrolidin-1-ylethyl)benzamide

N-methyl-2-[2-(methylamino)ethyl]-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 104547877) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-methyl-2-[2-(methylamino)ethyl]-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound NameN-methyl-2-[2-(methylamino)ethyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID104547877
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-methyl-2-[2-(methylamino)ethyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCNCCc1ccccc1C(=O)N(C)CCN1CCCC1
InChIInChI=1S/C17H27N3O/c1-18-10-9-15-7-3-4-8-16(15)17(21)19(2)13-14-20-11-5-6-12-20/h3-4,7-8,18H,5-6,9-14H2,1-2H3
InChIKeyYVXQHCUAGNBGFX-UHFFFAOYSA-N
XLogP1.62
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N,2-bis[2-(methylamino)ethyl]benzamide
CID 104547950
N-methyl-2-[2-(methylamino)ethyl]-N-[3-(methylamino)propyl]benzamide
CID 104548124
N-(2-hydroxyethyl)-N-methyl-2-[2-(methylamino)ethyl]benzamide
CID 113425674
2-fluoro-N-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 110753364
N-methyl-2-[2-(methylamino)ethyl]-N-(2-methylsulfanylethyl)benzamide
CID 113425695
2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]benzoic acid
CID 104548782
2-hydroxy-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 63211055
N-methyl-2-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 104547292
2-amino-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 63206760
N-methoxy-N-methyl-2-[2-(methylamino)ethyl]benzamide
CID 104547715
N,N-diethyl-2-[2-(methylamino)ethyl]benzamide
CID 104547231
[2-[2-(methylamino)ethyl]phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 104547371

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(methylamino)ethyl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of N-methyl-2-[2-(methylamino)ethyl]-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 104547877) is N-methyl-2-[2-(methylamino)ethyl]-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for N-methyl-2-[2-(methylamino)ethyl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for N-methyl-2-[2-(methylamino)ethyl]-N-(2-pyrrolidin-1-ylethyl)benzamide is CNCCc1ccccc1C(=O)N(C)CCN1CCCC1.
What is the InChIKey of N-methyl-2-[2-(methylamino)ethyl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is YVXQHCUAGNBGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-18-10-9-15-7-3-4-8-16(15)17(21)19(2)13-14-20-11-5-6-12-20/h3-4,7-8,18H,5-6,9-14H2,1-2H3.
What are the key properties of N-methyl-2-[2-(methylamino)ethyl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
N-methyl-2-[2-(methylamino)ethyl]-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 289.42 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(methylamino)ethyl]-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 104547877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).