2,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)benzamide

C15H22N2O — CID 114793749

IUPAC2,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
SMILESCc1ccc(C)c(C(=O)NCCC2CCCN2)c1
InChIInChI=1S/C15H22N2O/c1-11-5-6-12(2)14(10-11)15(18)17-9-7-13-4-3-8-16-13/h5-6,10,13,16H,3-4,7-9H2,1-2H3,(H,17,18)
InChIKeyKRQUMYDVTAUJFR-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.18
Rot. Bonds4

About 2,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)benzamide

2,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)benzamide (PubChem CID 114793749) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)benzamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
PubChem CID114793749
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
SMILESCc1ccc(C)c(C(=O)NCCC2CCCN2)c1
InChIInChI=1S/C15H22N2O/c1-11-5-6-12(2)14(10-11)15(18)17-9-7-13-4-3-8-16-13/h5-6,10,13,16H,3-4,7-9H2,1-2H3,(H,17,18)
InChIKeyKRQUMYDVTAUJFR-UHFFFAOYSA-N
XLogP2.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-5-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972264
5-fluoro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793819
2-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971649
2-(2,5-dimethylphenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide
CID 104955056
5-chloro-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971959
5-chloro-2-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104955212
1,5,6-trimethyl-2-oxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-3-carboxamide
CID 74231255
3-bromo-4-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793684
6-methyl-4-oxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide
CID 104955353
2,4-dihydroxy-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793797
2-ethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793888
3-chloro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 107098372

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)benzamide?
The IUPAC name of 2,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)benzamide (CID 114793749) is 2,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)benzamide.
What is the SMILES notation for 2,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)benzamide?
The canonical SMILES for 2,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)benzamide is Cc1ccc(C)c(C(=O)NCCC2CCCN2)c1.
What is the InChIKey of 2,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)benzamide?
The InChIKey is KRQUMYDVTAUJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-5-6-12(2)14(10-11)15(18)17-9-7-13-4-3-8-16-13/h5-6,10,13,16H,3-4,7-9H2,1-2H3,(H,17,18).
What are the key properties of 2,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)benzamide?
2,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)benzamide has a molecular weight of 246.35 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)benzamide is sourced from PubChem (CID 114793749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).