4-amino-N-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzamide

C14H19N3O3 — CID 106774568

IUPAC4-amino-N-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzamide
SMILESC[C@@H]1COCCN1C(=O)CNC(=O)c1ccc(N)cc1
InChIInChI=1S/C14H19N3O3/c1-10-9-20-7-6-17(10)13(18)8-16-14(19)11-2-4-12(15)5-3-11/h2-5,10H,6-9,15H2,1H3,(H,16,19)/t10-/m1/s1
InChIKeyPAJQELLDUJCGIK-SNVBAGLBSA-N
MW277.32 g/mol
LogP0.25
Rot. Bonds3

About 4-amino-N-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzamide

4-amino-N-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzamide (PubChem CID 106774568) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-amino-N-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzamide
PubChem CID106774568
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name4-amino-N-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzamide
SMILESC[C@@H]1COCCN1C(=O)CNC(=O)c1ccc(N)cc1
InChIInChI=1S/C14H19N3O3/c1-10-9-20-7-6-17(10)13(18)8-16-14(19)11-2-4-12(15)5-3-11/h2-5,10H,6-9,15H2,1H3,(H,16,19)/t10-/m1/s1
InChIKeyPAJQELLDUJCGIK-SNVBAGLBSA-N
XLogP0.25
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(methylamino)-1-(3-methylmorpholin-4-yl)ethanone
CID 43542226
2-(4-aminophenyl)-2-methyl-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one
CID 106774544
2-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone
CID 106773667
4-amino-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]benzamide
CID 119863887
1-(4-fluorophenyl)-4-(3-methylmorpholin-4-yl)butane-1,4-dione
CID 110309820
3-(3-aminophenyl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one
CID 93112029
N'-hydroxy-4-[2-(3-methylmorpholin-4-yl)-2-oxoethyl]benzenecarboximidamide
CID 77000982
[4-(aminomethyl)phenyl]-(3-methylmorpholin-4-yl)methanone;hydrochloride
CID 119293249
2-(3-aminopyrazol-1-yl)-1-[(3R)-3-methylmorpholin-4-yl]ethanone
CID 94355301
4-tert-butyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258300
N-[2-(2,4-dimethylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 110741126
4-[(3-methylmorpholin-4-yl)methyl]benzohydrazide
CID 63574051

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzamide?
The IUPAC name of 4-amino-N-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzamide (CID 106774568) is 4-amino-N-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-amino-N-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 4-amino-N-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzamide is C[C@@H]1COCCN1C(=O)CNC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzamide?
The InChIKey is PAJQELLDUJCGIK-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10-9-20-7-6-17(10)13(18)8-16-14(19)11-2-4-12(15)5-3-11/h2-5,10H,6-9,15H2,1H3,(H,16,19)/t10-/m1/s1.
What are the key properties of 4-amino-N-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzamide?
4-amino-N-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzamide has a molecular weight of 277.32 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 106774568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).