2-(2,2-dimethylbutyl)-3-methyl-N-(1-pyridin-2-ylcyclopropyl)benzamide

C22H28N2O — CID 70811783

IUPAC2-(2,2-dimethylbutyl)-3-methyl-N-(1-pyridin-2-ylcyclopropyl)benzamide
SMILESCCC(C)(C)Cc1c(C)cccc1C(=O)NC1(c2ccccn2)CC1
InChIInChI=1S/C22H28N2O/c1-5-21(3,4)15-18-16(2)9-8-10-17(18)20(25)24-22(12-13-22)19-11-6-7-14-23-19/h6-11,14H,5,12-13,15H2,1-4H3,(H,24,25)
InChIKeyCMAMFIUCGXGADH-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.79
Rot. Bonds6

About 2-(2,2-dimethylbutyl)-3-methyl-N-(1-pyridin-2-ylcyclopropyl)benzamide

2-(2,2-dimethylbutyl)-3-methyl-N-(1-pyridin-2-ylcyclopropyl)benzamide (PubChem CID 70811783) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-(2,2-dimethylbutyl)-3-methyl-N-(1-pyridin-2-ylcyclopropyl)benzamide.

Molecular Properties

Compound Name2-(2,2-dimethylbutyl)-3-methyl-N-(1-pyridin-2-ylcyclopropyl)benzamide
PubChem CID70811783
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name2-(2,2-dimethylbutyl)-3-methyl-N-(1-pyridin-2-ylcyclopropyl)benzamide
SMILESCCC(C)(C)Cc1c(C)cccc1C(=O)NC1(c2ccccn2)CC1
InChIInChI=1S/C22H28N2O/c1-5-21(3,4)15-18-16(2)9-8-10-17(18)20(25)24-22(12-13-22)19-11-6-7-14-23-19/h6-11,14H,5,12-13,15H2,1-4H3,(H,24,25)
InChIKeyCMAMFIUCGXGADH-UHFFFAOYSA-N
XLogP4.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylbutyl)-3-methyl-N-(1-pyridin-2-ylcyclopropyl)benzamide?
The IUPAC name of 2-(2,2-dimethylbutyl)-3-methyl-N-(1-pyridin-2-ylcyclopropyl)benzamide (CID 70811783) is 2-(2,2-dimethylbutyl)-3-methyl-N-(1-pyridin-2-ylcyclopropyl)benzamide.
What is the SMILES notation for 2-(2,2-dimethylbutyl)-3-methyl-N-(1-pyridin-2-ylcyclopropyl)benzamide?
The canonical SMILES for 2-(2,2-dimethylbutyl)-3-methyl-N-(1-pyridin-2-ylcyclopropyl)benzamide is CCC(C)(C)Cc1c(C)cccc1C(=O)NC1(c2ccccn2)CC1.
What is the InChIKey of 2-(2,2-dimethylbutyl)-3-methyl-N-(1-pyridin-2-ylcyclopropyl)benzamide?
The InChIKey is CMAMFIUCGXGADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-5-21(3,4)15-18-16(2)9-8-10-17(18)20(25)24-22(12-13-22)19-11-6-7-14-23-19/h6-11,14H,5,12-13,15H2,1-4H3,(H,24,25).
What are the key properties of 2-(2,2-dimethylbutyl)-3-methyl-N-(1-pyridin-2-ylcyclopropyl)benzamide?
2-(2,2-dimethylbutyl)-3-methyl-N-(1-pyridin-2-ylcyclopropyl)benzamide has a molecular weight of 336.48 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylbutyl)-3-methyl-N-(1-pyridin-2-ylcyclopropyl)benzamide is sourced from PubChem (CID 70811783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).