N-(4-aminophenyl)-N-methyl-2-(3-oxomorpholin-4-yl)acetamide

C13H17N3O3 — CID 79468372

IUPACN-(4-aminophenyl)-N-methyl-2-(3-oxomorpholin-4-yl)acetamide
SMILESCN(C(=O)CN1CCOCC1=O)c1ccc(N)cc1
InChIInChI=1S/C13H17N3O3/c1-15(11-4-2-10(14)3-5-11)12(17)8-16-6-7-19-9-13(16)18/h2-5H,6-9,14H2,1H3
InChIKeyGQZXCFYUBSFJPG-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.09
Rot. Bonds3

About N-(4-aminophenyl)-N-methyl-2-(3-oxomorpholin-4-yl)acetamide

N-(4-aminophenyl)-N-methyl-2-(3-oxomorpholin-4-yl)acetamide (PubChem CID 79468372) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-methyl-2-(3-oxomorpholin-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-methyl-2-(3-oxomorpholin-4-yl)acetamide
PubChem CID79468372
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-(4-aminophenyl)-N-methyl-2-(3-oxomorpholin-4-yl)acetamide
SMILESCN(C(=O)CN1CCOCC1=O)c1ccc(N)cc1
InChIInChI=1S/C13H17N3O3/c1-15(11-4-2-10(14)3-5-11)12(17)8-16-6-7-19-9-13(16)18/h2-5H,6-9,14H2,1H3
InChIKeyGQZXCFYUBSFJPG-UHFFFAOYSA-N
XLogP0.09
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-N-methyl-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 62490458
N-(4-aminophenyl)-N-methyl-2-piperidin-1-ylacetamide
CID 22569644
N-(4-aminophenyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide
CID 43375589
4-(2-cyclopropyl-2-oxoethyl)morpholin-3-one
CID 79468968
N-(4-aminophenyl)-2-(4-cyclopropylpiperazin-1-yl)-N-methylacetamide
CID 61440037
N-(4-aminophenyl)-N-methyl-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 43376263
N-(4-aminophenyl)-2-(2,6-dimethylpiperidin-1-yl)-N-methylacetamide
CID 43375666
N-(4-aminophenyl)-N-methyl-2-[methyl(oxolan-3-yl)amino]acetamide
CID 82733451
N-(4-aminophenyl)-N-methyl-2-(5-oxo-1,4-diazepan-1-yl)acetamide
CID 63003549
N-(4-aminophenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 114797175
4-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]morpholin-3-one
CID 79467616
5-amino-2-[(3-oxomorpholin-4-yl)methyl]benzoic acid
CID 174506668

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N-methyl-2-(3-oxomorpholin-4-yl)acetamide?
The IUPAC name of N-(4-aminophenyl)-N-methyl-2-(3-oxomorpholin-4-yl)acetamide (CID 79468372) is N-(4-aminophenyl)-N-methyl-2-(3-oxomorpholin-4-yl)acetamide.
What is the SMILES notation for N-(4-aminophenyl)-N-methyl-2-(3-oxomorpholin-4-yl)acetamide?
The canonical SMILES for N-(4-aminophenyl)-N-methyl-2-(3-oxomorpholin-4-yl)acetamide is CN(C(=O)CN1CCOCC1=O)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-N-methyl-2-(3-oxomorpholin-4-yl)acetamide?
The InChIKey is GQZXCFYUBSFJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-15(11-4-2-10(14)3-5-11)12(17)8-16-6-7-19-9-13(16)18/h2-5H,6-9,14H2,1H3.
What are the key properties of N-(4-aminophenyl)-N-methyl-2-(3-oxomorpholin-4-yl)acetamide?
N-(4-aminophenyl)-N-methyl-2-(3-oxomorpholin-4-yl)acetamide has a molecular weight of 263.30 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-methyl-2-(3-oxomorpholin-4-yl)acetamide is sourced from PubChem (CID 79468372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).