3-[[[(2S)-4-methylmorpholin-2-yl]methylamino]methyl]benzamide

C14H21N3O2 — CID 95329722

IUPAC3-[[[(2S)-4-methylmorpholin-2-yl]methylamino]methyl]benzamide
SMILESCN1CCO[C@@H](CNCc2cccc(C(N)=O)c2)C1
InChIInChI=1S/C14H21N3O2/c1-17-5-6-19-13(10-17)9-16-8-11-3-2-4-12(7-11)14(15)18/h2-4,7,13,16H,5-6,8-10H2,1H3,(H2,15,18)/t13-/m0/s1
InChIKeyBCGNFCVRKNZQNW-ZDUSSCGKSA-N
MW263.34 g/mol
LogP0.21
Rot. Bonds5

About 3-[[[(2S)-4-methylmorpholin-2-yl]methylamino]methyl]benzamide

3-[[[(2S)-4-methylmorpholin-2-yl]methylamino]methyl]benzamide (PubChem CID 95329722) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[[[(2S)-4-methylmorpholin-2-yl]methylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[(2S)-4-methylmorpholin-2-yl]methylamino]methyl]benzamide
PubChem CID95329722
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[[[(2S)-4-methylmorpholin-2-yl]methylamino]methyl]benzamide
SMILESCN1CCO[C@@H](CNCc2cccc(C(N)=O)c2)C1
InChIInChI=1S/C14H21N3O2/c1-17-5-6-19-13(10-17)9-16-8-11-3-2-4-12(7-11)14(15)18/h2-4,7,13,16H,5-6,8-10H2,1H3,(H2,15,18)/t13-/m0/s1
InChIKeyBCGNFCVRKNZQNW-ZDUSSCGKSA-N
XLogP0.21
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzamide
CID 71933164
N-[(3-methoxyphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95334871
3-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid
CID 103267262
3-(chloromethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 79082923
1-[(2S)-4-methylmorpholin-2-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
CID 95160740
1-[(2S)-4-methylmorpholin-2-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine
CID 95160732
3-[[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methylamino]methyl]benzamide
CID 97009863
3-[[(3-hydroxycyclopentyl)methylamino]methyl]benzamide
CID 103270759
formic acid;2-[(4-methylmorpholin-2-yl)methylamino]pyridine-4-carboxamide
CID 171686529
5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-3-carboxylic acid
CID 113432530
3-[[[(2R,3R)-2-propan-2-yloxolan-3-yl]methylamino]methyl]benzamide
CID 128993203
3-[(4-methylmorpholin-2-yl)methylamino]propanamide
CID 78945349

Frequently Asked Questions

What is the IUPAC name of 3-[[[(2S)-4-methylmorpholin-2-yl]methylamino]methyl]benzamide?
The IUPAC name of 3-[[[(2S)-4-methylmorpholin-2-yl]methylamino]methyl]benzamide (CID 95329722) is 3-[[[(2S)-4-methylmorpholin-2-yl]methylamino]methyl]benzamide.
What is the SMILES notation for 3-[[[(2S)-4-methylmorpholin-2-yl]methylamino]methyl]benzamide?
The canonical SMILES for 3-[[[(2S)-4-methylmorpholin-2-yl]methylamino]methyl]benzamide is CN1CCO[C@@H](CNCc2cccc(C(N)=O)c2)C1.
What is the InChIKey of 3-[[[(2S)-4-methylmorpholin-2-yl]methylamino]methyl]benzamide?
The InChIKey is BCGNFCVRKNZQNW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-17-5-6-19-13(10-17)9-16-8-11-3-2-4-12(7-11)14(15)18/h2-4,7,13,16H,5-6,8-10H2,1H3,(H2,15,18)/t13-/m0/s1.
What are the key properties of 3-[[[(2S)-4-methylmorpholin-2-yl]methylamino]methyl]benzamide?
3-[[[(2S)-4-methylmorpholin-2-yl]methylamino]methyl]benzamide has a molecular weight of 263.34 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(2S)-4-methylmorpholin-2-yl]methylamino]methyl]benzamide is sourced from PubChem (CID 95329722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).