2,4,5-trimethyl-N-(pyrrolidin-3-ylmethyl)benzamide

C15H22N2O — CID 115271836

IUPAC2,4,5-trimethyl-N-(pyrrolidin-3-ylmethyl)benzamide
SMILESCc1cc(C)c(C(=O)NCC2CCNC2)cc1C
InChIInChI=1S/C15H22N2O/c1-10-6-12(3)14(7-11(10)2)15(18)17-9-13-4-5-16-8-13/h6-7,13,16H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyZQSDXYFYBVXAPZ-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.95
Rot. Bonds3

About 2,4,5-trimethyl-N-(pyrrolidin-3-ylmethyl)benzamide

2,4,5-trimethyl-N-(pyrrolidin-3-ylmethyl)benzamide (PubChem CID 115271836) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-(pyrrolidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-(pyrrolidin-3-ylmethyl)benzamide
PubChem CID115271836
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2,4,5-trimethyl-N-(pyrrolidin-3-ylmethyl)benzamide
SMILESCc1cc(C)c(C(=O)NCC2CCNC2)cc1C
InChIInChI=1S/C15H22N2O/c1-10-6-12(3)14(7-11(10)2)15(18)17-9-13-4-5-16-8-13/h6-7,13,16H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyZQSDXYFYBVXAPZ-UHFFFAOYSA-N
XLogP1.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-2,3-dimethyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115271837
5-chloro-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 82883859
5-bromo-4-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-carboxamide
CID 58748328
2-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-3-carboxamide
CID 80564265
4-iodo-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564144
2-methylsulfanyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564481
3,5-dichloro-2-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide
CID 178146409
3-methyl-N-(pyrrolidin-3-ylmethyl)thiophene-2-carboxamide;hydrochloride
CID 71638244
2,3,4-trifluoro-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564595
N-(pyrrolidin-3-ylmethyl)naphthalene-2-carboxamide
CID 80564611
4,5-dibromo-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 58748196
3-chloro-4-methoxy-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115271818

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-(pyrrolidin-3-ylmethyl)benzamide?
The IUPAC name of 2,4,5-trimethyl-N-(pyrrolidin-3-ylmethyl)benzamide (CID 115271836) is 2,4,5-trimethyl-N-(pyrrolidin-3-ylmethyl)benzamide.
What is the SMILES notation for 2,4,5-trimethyl-N-(pyrrolidin-3-ylmethyl)benzamide?
The canonical SMILES for 2,4,5-trimethyl-N-(pyrrolidin-3-ylmethyl)benzamide is Cc1cc(C)c(C(=O)NCC2CCNC2)cc1C.
What is the InChIKey of 2,4,5-trimethyl-N-(pyrrolidin-3-ylmethyl)benzamide?
The InChIKey is ZQSDXYFYBVXAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-6-12(3)14(7-11(10)2)15(18)17-9-13-4-5-16-8-13/h6-7,13,16H,4-5,8-9H2,1-3H3,(H,17,18).
What are the key properties of 2,4,5-trimethyl-N-(pyrrolidin-3-ylmethyl)benzamide?
2,4,5-trimethyl-N-(pyrrolidin-3-ylmethyl)benzamide has a molecular weight of 246.35 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-(pyrrolidin-3-ylmethyl)benzamide is sourced from PubChem (CID 115271836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).