2-methyl-5-(morpholin-4-ylmethyl)-N-(oxolan-3-ylmethyl)benzamide

C18H26N2O3 — CID 70845928

IUPAC2-methyl-5-(morpholin-4-ylmethyl)-N-(oxolan-3-ylmethyl)benzamide
SMILESCc1ccc(CN2CCOCC2)cc1C(=O)NCC1CCOC1
InChIInChI=1S/C18H26N2O3/c1-14-2-3-15(12-20-5-8-22-9-6-20)10-17(14)18(21)19-11-16-4-7-23-13-16/h2-3,10,16H,4-9,11-13H2,1H3,(H,19,21)
InChIKeyDKHLHKUJKKTPHB-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.59
Rot. Bonds5

About 2-methyl-5-(morpholin-4-ylmethyl)-N-(oxolan-3-ylmethyl)benzamide

2-methyl-5-(morpholin-4-ylmethyl)-N-(oxolan-3-ylmethyl)benzamide (PubChem CID 70845928) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-methyl-5-(morpholin-4-ylmethyl)-N-(oxolan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-methyl-5-(morpholin-4-ylmethyl)-N-(oxolan-3-ylmethyl)benzamide
PubChem CID70845928
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-methyl-5-(morpholin-4-ylmethyl)-N-(oxolan-3-ylmethyl)benzamide
SMILESCc1ccc(CN2CCOCC2)cc1C(=O)NCC1CCOC1
InChIInChI=1S/C18H26N2O3/c1-14-2-3-15(12-20-5-8-22-9-6-20)10-17(14)18(21)19-11-16-4-7-23-13-16/h2-3,10,16H,4-9,11-13H2,1H3,(H,19,21)
InChIKeyDKHLHKUJKKTPHB-UHFFFAOYSA-N
XLogP1.59
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(1-methylpiperidin-4-yl)methyl]-5-(morpholin-4-ylmethyl)benzamide
CID 70845924
2-methyl-5-(morpholin-4-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 70846212
2-methyl-N-(1-methylpiperidin-4-yl)-5-(morpholin-4-ylmethyl)benzamide
CID 70846032
2-methyl-N-(oxan-4-yl)-5-(pyrrolidin-1-ylmethyl)benzamide
CID 70845853
5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methyl-N-(oxan-4-yl)benzamide
CID 70845852
1-[2-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(oxan-4-yl)ethanone
CID 157306935
5-amino-2-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 120640346
2,4-dihydroxy-N-(oxolan-3-ylmethyl)benzamide
CID 103614166
2,4-dimethyl-5-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65398563
5-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-methylbenzamide
CID 120645363
2-methyl-5-methylsulfanyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 55971149
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 55659551

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(morpholin-4-ylmethyl)-N-(oxolan-3-ylmethyl)benzamide?
The IUPAC name of 2-methyl-5-(morpholin-4-ylmethyl)-N-(oxolan-3-ylmethyl)benzamide (CID 70845928) is 2-methyl-5-(morpholin-4-ylmethyl)-N-(oxolan-3-ylmethyl)benzamide.
What is the SMILES notation for 2-methyl-5-(morpholin-4-ylmethyl)-N-(oxolan-3-ylmethyl)benzamide?
The canonical SMILES for 2-methyl-5-(morpholin-4-ylmethyl)-N-(oxolan-3-ylmethyl)benzamide is Cc1ccc(CN2CCOCC2)cc1C(=O)NCC1CCOC1.
What is the InChIKey of 2-methyl-5-(morpholin-4-ylmethyl)-N-(oxolan-3-ylmethyl)benzamide?
The InChIKey is DKHLHKUJKKTPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-14-2-3-15(12-20-5-8-22-9-6-20)10-17(14)18(21)19-11-16-4-7-23-13-16/h2-3,10,16H,4-9,11-13H2,1H3,(H,19,21).
What are the key properties of 2-methyl-5-(morpholin-4-ylmethyl)-N-(oxolan-3-ylmethyl)benzamide?
2-methyl-5-(morpholin-4-ylmethyl)-N-(oxolan-3-ylmethyl)benzamide has a molecular weight of 318.42 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(morpholin-4-ylmethyl)-N-(oxolan-3-ylmethyl)benzamide is sourced from PubChem (CID 70845928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).