4-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]-N-methylbenzamide

C23H30N4O2 — CID 109480196

IUPAC4-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]-N-methylbenzamide
SMILESCCN/C(=N\Cc1ccc(C(=O)NC)cc1)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C23H30N4O2/c1-4-25-23(26-15-18-9-11-19(12-10-18)22(28)24-3)27-13-14-29-21(16-27)20-8-6-5-7-17(20)2/h5-12,21H,4,13-16H2,1-3H3,(H,24,28)(H,25,26)
InChIKeySTFGSIAZVSGMGI-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.89
Rot. Bonds5

About 4-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]-N-methylbenzamide

4-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]-N-methylbenzamide (PubChem CID 109480196) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]-N-methylbenzamide
PubChem CID109480196
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name4-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]-N-methylbenzamide
SMILESCCN/C(=N\Cc1ccc(C(=O)NC)cc1)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C23H30N4O2/c1-4-25-23(26-15-18-9-11-19(12-10-18)22(28)24-3)27-13-14-29-21(16-27)20-8-6-5-7-17(20)2/h5-12,21H,4,13-16H2,1-3H3,(H,24,28)(H,25,26)
InChIKeySTFGSIAZVSGMGI-UHFFFAOYSA-N
XLogP2.89
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]benzamide
CID 109480328
3-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]benzamide
CID 109481109
N'-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109479443
N'-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479442
N-[3-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]phenyl]acetamide;hydroiodide
CID 109481556
N-ethyl-N'-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481185
N-ethyl-2-(2-methylphenyl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide
CID 109480595
2-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]-N,N-dimethylacetamide
CID 109480637
N-ethyl-N'-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480432
N-[4-[2-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]ethyl]phenyl]acetamide;hydroiodide
CID 109481476
3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]-2,2-dimethylpropanamide
CID 109480378
N-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479662

Frequently Asked Questions

What is the IUPAC name of 4-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]-N-methylbenzamide (CID 109480196) is 4-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]-N-methylbenzamide is CCN/C(=N\Cc1ccc(C(=O)NC)cc1)N1CCOC(c2ccccc2C)C1.
What is the InChIKey of 4-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]-N-methylbenzamide?
The InChIKey is STFGSIAZVSGMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-4-25-23(26-15-18-9-11-19(12-10-18)22(28)24-3)27-13-14-29-21(16-27)20-8-6-5-7-17(20)2/h5-12,21H,4,13-16H2,1-3H3,(H,24,28)(H,25,26).
What are the key properties of 4-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]-N-methylbenzamide?
4-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]-N-methylbenzamide has a molecular weight of 394.52 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 109480196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).