3-(2-aminoethyl)-N-methyl-N-(oxan-4-yl)benzamide

C15H22N2O2 — CID 62591913

IUPAC3-(2-aminoethyl)-N-methyl-N-(oxan-4-yl)benzamide
SMILESCN(C(=O)c1cccc(CCN)c1)C1CCOCC1
InChIInChI=1S/C15H22N2O2/c1-17(14-6-9-19-10-7-14)15(18)13-4-2-3-12(11-13)5-8-16/h2-4,11,14H,5-10,16H2,1H3
InChIKeyNCPFVLZGSGZLKI-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.44
Rot. Bonds4

About 3-(2-aminoethyl)-N-methyl-N-(oxan-4-yl)benzamide

3-(2-aminoethyl)-N-methyl-N-(oxan-4-yl)benzamide (PubChem CID 62591913) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-methyl-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-methyl-N-(oxan-4-yl)benzamide
PubChem CID62591913
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(2-aminoethyl)-N-methyl-N-(oxan-4-yl)benzamide
SMILESCN(C(=O)c1cccc(CCN)c1)C1CCOCC1
InChIInChI=1S/C15H22N2O2/c1-17(14-6-9-19-10-7-14)15(18)13-4-2-3-12(11-13)5-8-16/h2-4,11,14H,5-10,16H2,1H3
InChIKeyNCPFVLZGSGZLKI-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-(2-methyloxolan-3-yl)benzamide
CID 82741453
3-[[[methyl(oxan-4-yl)carbamoyl]amino]methyl]benzoic acid
CID 61202979
N-cyclohexyl-3-ethyl-N-methylbenzamide
CID 70929086
3,4-dihydroxy-N-methyl-N-(oxan-4-yl)benzamide
CID 103957367
3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide
CID 82748470
3-(4-hydroxybut-1-ynyl)-N-methyl-N-(oxan-4-yl)benzamide
CID 60815763
3-(chloromethyl)-N-cyclohexyl-N-methylbenzamide
CID 10611761
4-amino-3,5-difluoro-N-methyl-N-(oxan-4-yl)benzamide
CID 55160806
3-amino-4-chloro-N-methyl-N-(oxan-4-yl)benzamide
CID 43610598
3-(2-amino-2-sulfanylideneethyl)-N-cyclohexyl-N-methylbenzamide
CID 82179274
5-[(3-methoxyphenyl)methyl]-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide
CID 110090895
3-(chloromethyl)-N-(4-ethylcyclohexyl)-N-methylbenzamide
CID 61027253

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-methyl-N-(oxan-4-yl)benzamide?
The IUPAC name of 3-(2-aminoethyl)-N-methyl-N-(oxan-4-yl)benzamide (CID 62591913) is 3-(2-aminoethyl)-N-methyl-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-methyl-N-(oxan-4-yl)benzamide?
The canonical SMILES for 3-(2-aminoethyl)-N-methyl-N-(oxan-4-yl)benzamide is CN(C(=O)c1cccc(CCN)c1)C1CCOCC1.
What is the InChIKey of 3-(2-aminoethyl)-N-methyl-N-(oxan-4-yl)benzamide?
The InChIKey is NCPFVLZGSGZLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17(14-6-9-19-10-7-14)15(18)13-4-2-3-12(11-13)5-8-16/h2-4,11,14H,5-10,16H2,1H3.
What are the key properties of 3-(2-aminoethyl)-N-methyl-N-(oxan-4-yl)benzamide?
3-(2-aminoethyl)-N-methyl-N-(oxan-4-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-(oxan-4-yl)benzamide is sourced from PubChem (CID 62591913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).