2-methyl-N-(oxan-4-yl)-5-(pyrrolidin-1-ylmethyl)benzamide

C18H26N2O2 — CID 70845853

IUPAC2-methyl-N-(oxan-4-yl)-5-(pyrrolidin-1-ylmethyl)benzamide
SMILESCc1ccc(CN2CCCC2)cc1C(=O)NC1CCOCC1
InChIInChI=1S/C18H26N2O2/c1-14-4-5-15(13-20-8-2-3-9-20)12-17(14)18(21)19-16-6-10-22-11-7-16/h4-5,12,16H,2-3,6-11,13H2,1H3,(H,19,21)
InChIKeyDLCWXUQWJCIKJZ-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.50
Rot. Bonds4

About 2-methyl-N-(oxan-4-yl)-5-(pyrrolidin-1-ylmethyl)benzamide

2-methyl-N-(oxan-4-yl)-5-(pyrrolidin-1-ylmethyl)benzamide (PubChem CID 70845853) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-methyl-N-(oxan-4-yl)-5-(pyrrolidin-1-ylmethyl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(oxan-4-yl)-5-(pyrrolidin-1-ylmethyl)benzamide
PubChem CID70845853
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-methyl-N-(oxan-4-yl)-5-(pyrrolidin-1-ylmethyl)benzamide
SMILESCc1ccc(CN2CCCC2)cc1C(=O)NC1CCOCC1
InChIInChI=1S/C18H26N2O2/c1-14-4-5-15(13-20-8-2-3-9-20)12-17(14)18(21)19-16-6-10-22-11-7-16/h4-5,12,16H,2-3,6-11,13H2,1H3,(H,19,21)
InChIKeyDLCWXUQWJCIKJZ-UHFFFAOYSA-N
XLogP2.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methyl-N-(oxan-4-yl)benzamide
CID 70845852
2-methyl-N-(1-methylpiperidin-4-yl)-5-(morpholin-4-ylmethyl)benzamide
CID 70846032
2-methyl-5-(morpholin-4-ylmethyl)-N-(oxolan-3-ylmethyl)benzamide
CID 70845928
5-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methyl-N-(oxan-4-yl)benzamide
CID 70845942
2-methyl-5-(morpholin-4-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 70846212
2-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(morpholin-4-ylmethyl)benzamide
CID 70845924
1-[2-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(oxan-4-yl)ethanone
CID 157306935
1-[(3,4-dichlorophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide
CID 165431874
2,4-dimethyl-N-(oxan-4-yl)benzamide
CID 70845723
N-cyclopropyl-4-(piperidin-1-ylmethyl)benzamide
CID 17407709
N-[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl]-2-methylbenzamide
CID 110009371
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide
CID 18121058

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(oxan-4-yl)-5-(pyrrolidin-1-ylmethyl)benzamide?
The IUPAC name of 2-methyl-N-(oxan-4-yl)-5-(pyrrolidin-1-ylmethyl)benzamide (CID 70845853) is 2-methyl-N-(oxan-4-yl)-5-(pyrrolidin-1-ylmethyl)benzamide.
What is the SMILES notation for 2-methyl-N-(oxan-4-yl)-5-(pyrrolidin-1-ylmethyl)benzamide?
The canonical SMILES for 2-methyl-N-(oxan-4-yl)-5-(pyrrolidin-1-ylmethyl)benzamide is Cc1ccc(CN2CCCC2)cc1C(=O)NC1CCOCC1.
What is the InChIKey of 2-methyl-N-(oxan-4-yl)-5-(pyrrolidin-1-ylmethyl)benzamide?
The InChIKey is DLCWXUQWJCIKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-14-4-5-15(13-20-8-2-3-9-20)12-17(14)18(21)19-16-6-10-22-11-7-16/h4-5,12,16H,2-3,6-11,13H2,1H3,(H,19,21).
What are the key properties of 2-methyl-N-(oxan-4-yl)-5-(pyrrolidin-1-ylmethyl)benzamide?
2-methyl-N-(oxan-4-yl)-5-(pyrrolidin-1-ylmethyl)benzamide has a molecular weight of 302.42 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxan-4-yl)-5-(pyrrolidin-1-ylmethyl)benzamide is sourced from PubChem (CID 70845853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).