3-[[[(2R)-3-ethoxy-2-hydroxypropyl]-methylamino]methyl]benzamide

C14H22N2O3 — CID 96540781

IUPAC3-[[[(2R)-3-ethoxy-2-hydroxypropyl]-methylamino]methyl]benzamide
SMILESCCOC[C@H](O)CN(C)Cc1cccc(C(N)=O)c1
InChIInChI=1S/C14H22N2O3/c1-3-19-10-13(17)9-16(2)8-11-5-4-6-12(7-11)14(15)18/h4-7,13,17H,3,8-10H2,1-2H3,(H2,15,18)/t13-/m1/s1
InChIKeyZJMSVWSRYDXLRK-CYBMUJFWSA-N
MW266.34 g/mol
LogP0.61
Rot. Bonds8

About 3-[[[(2R)-3-ethoxy-2-hydroxypropyl]-methylamino]methyl]benzamide

3-[[[(2R)-3-ethoxy-2-hydroxypropyl]-methylamino]methyl]benzamide (PubChem CID 96540781) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[[[(2R)-3-ethoxy-2-hydroxypropyl]-methylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[(2R)-3-ethoxy-2-hydroxypropyl]-methylamino]methyl]benzamide
PubChem CID96540781
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-[[[(2R)-3-ethoxy-2-hydroxypropyl]-methylamino]methyl]benzamide
SMILESCCOC[C@H](O)CN(C)Cc1cccc(C(N)=O)c1
InChIInChI=1S/C14H22N2O3/c1-3-19-10-13(17)9-16(2)8-11-5-4-6-12(7-11)14(15)18/h4-7,13,17H,3,8-10H2,1-2H3,(H2,15,18)/t13-/m1/s1
InChIKeyZJMSVWSRYDXLRK-CYBMUJFWSA-N
XLogP0.61
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(3-aminophenyl)methyl-methylamino]methyl]benzamide
CID 43457958
4-[3-[benzyl(methyl)amino]-2-hydroxypropoxy]benzamide
CID 109415224
3-[(dimethylamino)methyl]benzamide;hydrochloride
CID 68818367
N-[3-[[[(2S)-2-hydroxy-3-phenylmethoxypropyl]-methylamino]methyl]phenyl]acetamide
CID 96547844
3-[[2,3-dihydroxypropyl(methyl)amino]methyl]benzenecarbothioamide
CID 82850304
3-[(dipropylamino)methyl]benzamide
CID 82041313
[3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]phenyl]-piperidin-1-ylmethanone
CID 111432744
ethyl 3-[3-[(3-cyanophenyl)methyl-methylamino]-2-hydroxypropoxy]benzoate
CID 86931329
ethyl 4-[(2S)-2-hydroxy-3-[(3-methoxyphenyl)methyl-methylamino]propoxy]benzoate
CID 41119766
ethyl 3-hydroxy-4-[(3-methoxyphenyl)methyl-methylamino]butanoate
CID 82768923
1-methoxy-3-[methyl-[(3-methylphenyl)methyl]amino]propan-2-ol
CID 62015545
4-fluoro-3-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]benzamide
CID 62015149

Frequently Asked Questions

What is the IUPAC name of 3-[[[(2R)-3-ethoxy-2-hydroxypropyl]-methylamino]methyl]benzamide?
The IUPAC name of 3-[[[(2R)-3-ethoxy-2-hydroxypropyl]-methylamino]methyl]benzamide (CID 96540781) is 3-[[[(2R)-3-ethoxy-2-hydroxypropyl]-methylamino]methyl]benzamide.
What is the SMILES notation for 3-[[[(2R)-3-ethoxy-2-hydroxypropyl]-methylamino]methyl]benzamide?
The canonical SMILES for 3-[[[(2R)-3-ethoxy-2-hydroxypropyl]-methylamino]methyl]benzamide is CCOC[C@H](O)CN(C)Cc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[[(2R)-3-ethoxy-2-hydroxypropyl]-methylamino]methyl]benzamide?
The InChIKey is ZJMSVWSRYDXLRK-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-19-10-13(17)9-16(2)8-11-5-4-6-12(7-11)14(15)18/h4-7,13,17H,3,8-10H2,1-2H3,(H2,15,18)/t13-/m1/s1.
What are the key properties of 3-[[[(2R)-3-ethoxy-2-hydroxypropyl]-methylamino]methyl]benzamide?
3-[[[(2R)-3-ethoxy-2-hydroxypropyl]-methylamino]methyl]benzamide has a molecular weight of 266.34 g/mol, XLogP of 0.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(2R)-3-ethoxy-2-hydroxypropyl]-methylamino]methyl]benzamide is sourced from PubChem (CID 96540781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).