(2E)-N-methyl-2-morpholin-4-ylimino-2-phenylacetamide

C13H17N3O2 — CID 101005235

IUPAC(2E)-N-methyl-2-morpholin-4-ylimino-2-phenylacetamide
SMILESCNC(=O)/C(=N/N1CCOCC1)c1ccccc1
InChIInChI=1S/C13H17N3O2/c1-14-13(17)12(11-5-3-2-4-6-11)15-16-7-9-18-10-8-16/h2-6H,7-10H2,1H3,(H,14,17)/b15-12+
InChIKeyOSZNZUNRYNEFLQ-NTCAYCPXSA-N
MW247.30 g/mol
LogP0.47
Rot. Bonds3

About (2E)-N-methyl-2-morpholin-4-ylimino-2-phenylacetamide

(2E)-N-methyl-2-morpholin-4-ylimino-2-phenylacetamide (PubChem CID 101005235) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is (2E)-N-methyl-2-morpholin-4-ylimino-2-phenylacetamide.

Molecular Properties

Compound Name(2E)-N-methyl-2-morpholin-4-ylimino-2-phenylacetamide
PubChem CID101005235
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name(2E)-N-methyl-2-morpholin-4-ylimino-2-phenylacetamide
SMILESCNC(=O)/C(=N/N1CCOCC1)c1ccccc1
InChIInChI=1S/C13H17N3O2/c1-14-13(17)12(11-5-3-2-4-6-11)15-16-7-9-18-10-8-16/h2-6H,7-10H2,1H3,(H,14,17)/b15-12+
InChIKeyOSZNZUNRYNEFLQ-NTCAYCPXSA-N
XLogP0.47
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (2E)-N-methyl-2-morpholin-4-ylimino-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E)-N,N-dimethyl-2-morpholin-4-ylimino-2-phenylacetamide
CID 101005237
(2Z)-N-methyl-2-phenyl-2-(phenylhydrazinylidene)acetamide
CID 15371306
(5-benzoyl-1,4,5-oxadiazepan-4-yl)-phenylmethanone
CID 12845384
N-methyl-N-morpholin-4-ylbenzamide
CID 154120289
N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
CID 78777337
4-(2-phenylprop-1-enyl)morpholine
CID 85373526
(2Z)-1-morpholin-4-yl-2-(1-phenylethylidene)butane-1,3-dione
CID 11380289
N-(morpholin-4-ylmethylidene)benzamide
CID 71741109
4-methyl-N-[(E)-(2-morpholin-4-yl-2-oxo-1-phenylethylidene)amino]benzenesulfonamide
CID 10786440
(E)-N-methyl-2,3-diphenylbut-2-enamide
CID 142095500
N-(3-benzoyl-4-morpholin-4-ylphenyl)acetamide
CID 2953550
N-(2-morpholin-4-ylethyl)-2-oxo-2-phenylacetamide
CID 94274550

Frequently Asked Questions

What is the IUPAC name of (2E)-N-methyl-2-morpholin-4-ylimino-2-phenylacetamide?
The IUPAC name of (2E)-N-methyl-2-morpholin-4-ylimino-2-phenylacetamide (CID 101005235) is (2E)-N-methyl-2-morpholin-4-ylimino-2-phenylacetamide.
What is the SMILES notation for (2E)-N-methyl-2-morpholin-4-ylimino-2-phenylacetamide?
The canonical SMILES for (2E)-N-methyl-2-morpholin-4-ylimino-2-phenylacetamide is CNC(=O)/C(=N/N1CCOCC1)c1ccccc1.
What is the InChIKey of (2E)-N-methyl-2-morpholin-4-ylimino-2-phenylacetamide?
The InChIKey is OSZNZUNRYNEFLQ-NTCAYCPXSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-14-13(17)12(11-5-3-2-4-6-11)15-16-7-9-18-10-8-16/h2-6H,7-10H2,1H3,(H,14,17)/b15-12+.
What are the key properties of (2E)-N-methyl-2-morpholin-4-ylimino-2-phenylacetamide?
(2E)-N-methyl-2-morpholin-4-ylimino-2-phenylacetamide has a molecular weight of 247.30 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-methyl-2-morpholin-4-ylimino-2-phenylacetamide is sourced from PubChem (CID 101005235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).