3-(2-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzamide

C15H22N2O2 — CID 82741453

IUPAC3-(2-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzamide
SMILESCC1OCCC1N(C)C(=O)c1cccc(CCN)c1
InChIInChI=1S/C15H22N2O2/c1-11-14(7-9-19-11)17(2)15(18)13-5-3-4-12(10-13)6-8-16/h3-5,10-11,14H,6-9,16H2,1-2H3
InChIKeyGUMKTVAFTPGWHJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.44
Rot. Bonds4

About 3-(2-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzamide

3-(2-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzamide (PubChem CID 82741453) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzamide
PubChem CID82741453
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(2-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzamide
SMILESCC1OCCC1N(C)C(=O)c1cccc(CCN)c1
InChIInChI=1S/C15H22N2O2/c1-11-14(7-9-19-11)17(2)15(18)13-5-3-4-12(10-13)6-8-16/h3-5,10-11,14H,6-9,16H2,1-2H3
InChIKeyGUMKTVAFTPGWHJ-UHFFFAOYSA-N
XLogP1.44
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminoethyl)-N-methyl-N-(oxan-4-yl)benzamide
CID 62591913
3-[[methyl-(2-methyloxolan-3-yl)amino]methyl]benzoic acid
CID 82739387
2-amino-N-methyl-N-(2-methyloxolan-3-yl)pyridine-4-carboxamide
CID 82743180
5-amino-2-fluoro-N-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82741761
3-bromo-4-chloro-N-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 114025919
3-[[methyl-(2-methyloxolan-3-yl)sulfamoyl]methyl]benzenecarbothioamide
CID 82736888
5,6-dichloro-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide
CID 82734080
3-[[methyl-(2-methyloxolan-3-yl)amino]methyl]benzenecarboximidamide
CID 82739133
N,3-dimethyl-N-(2-methyloxolan-3-yl)-4-(propylamino)benzamide
CID 82734789
2-[2-(aminomethyl)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)acetamide
CID 82737840
N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-carboxamide
CID 82744433
5-chloro-2-hydroxy-N-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82739696

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzamide?
The IUPAC name of 3-(2-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzamide (CID 82741453) is 3-(2-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzamide?
The canonical SMILES for 3-(2-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzamide is CC1OCCC1N(C)C(=O)c1cccc(CCN)c1.
What is the InChIKey of 3-(2-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzamide?
The InChIKey is GUMKTVAFTPGWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-14(7-9-19-11)17(2)15(18)13-5-3-4-12(10-13)6-8-16/h3-5,10-11,14H,6-9,16H2,1-2H3.
What are the key properties of 3-(2-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzamide?
3-(2-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzamide has a molecular weight of 262.35 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzamide is sourced from PubChem (CID 82741453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).