2,4-dimethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide

C18H28N2O — CID 106611361

IUPAC2,4-dimethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCc1ccc(C(=O)N(CC(C)C)CC2CCCN2)c(C)c1
InChIInChI=1S/C18H28N2O/c1-13(2)11-20(12-16-6-5-9-19-16)18(21)17-8-7-14(3)10-15(17)4/h7-8,10,13,16,19H,5-6,9,11-12H2,1-4H3
InChIKeyNQDVWZCYWPQOCW-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.15
Rot. Bonds5

About 2,4-dimethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide

2,4-dimethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106611361) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2,4-dimethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106611361
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2,4-dimethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCc1ccc(C(=O)N(CC(C)C)CC2CCCN2)c(C)c1
InChIInChI=1S/C18H28N2O/c1-13(2)11-20(12-16-6-5-9-19-16)18(21)17-8-7-14(3)10-15(17)4/h7-8,10,13,16,19H,5-6,9,11-12H2,1-4H3
InChIKeyNQDVWZCYWPQOCW-UHFFFAOYSA-N
XLogP3.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611087
4-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide
CID 106610939
4-fluoro-3-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611187
1,5-dimethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 106611340
5-bromo-2-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611177
N-(cyclopropylmethyl)-2-hydroxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608691
2,3-difluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611182
2-bromo-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608591
3-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106611115
4-methyl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106620717
N-(2-methylpropyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)pyran-3-carboxamide
CID 106611351
5-ethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 106610975

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 2,4-dimethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106611361) is 2,4-dimethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 2,4-dimethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 2,4-dimethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide is Cc1ccc(C(=O)N(CC(C)C)CC2CCCN2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is NQDVWZCYWPQOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(2)11-20(12-16-6-5-9-19-16)18(21)17-8-7-14(3)10-15(17)4/h7-8,10,13,16,19H,5-6,9,11-12H2,1-4H3.
What are the key properties of 2,4-dimethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide?
2,4-dimethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 288.44 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106611361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).