3-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]benzamide

C22H28N4O2 — CID 109481109

IUPAC3-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]benzamide
SMILESCCN/C(=N\Cc1cccc(C(N)=O)c1)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C22H28N4O2/c1-3-24-22(25-14-17-8-6-9-18(13-17)21(23)27)26-11-12-28-20(15-26)19-10-5-4-7-16(19)2/h4-10,13,20H,3,11-12,14-15H2,1-2H3,(H2,23,27)(H,24,25)
InChIKeyVIGRPVWAYPWYHF-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.63
Rot. Bonds5

About 3-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]benzamide

3-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]benzamide (PubChem CID 109481109) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]benzamide
PubChem CID109481109
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name3-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]benzamide
SMILESCCN/C(=N\Cc1cccc(C(N)=O)c1)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C22H28N4O2/c1-3-24-22(25-14-17-8-6-9-18(13-17)21(23)27)26-11-12-28-20(15-26)19-10-5-4-7-16(19)2/h4-10,13,20H,3,11-12,14-15H2,1-2H3,(H2,23,27)(H,24,25)
InChIKeyVIGRPVWAYPWYHF-UHFFFAOYSA-N
XLogP2.63
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.63
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
N-[3-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]phenyl]acetamide;hydroiodide
CID 109481556
4-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]-N-methylbenzamide
CID 109480196
N-ethyl-N'-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481703
3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]-2,2-dimethylpropanamide
CID 109480378
N-ethyl-3-[[[N-methyl-C-[2-(2-methylphenyl)morpholin-4-yl]carbonimidoyl]amino]methyl]benzamide
CID 109479489
N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479444
N'-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109479443
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'-[2-(3-hydroxyphenyl)ethyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479510
N-benzyl-3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]propanamide
CID 109479523

Frequently Asked Questions

What is the IUPAC name of 3-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]benzamide?
The IUPAC name of 3-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]benzamide (CID 109481109) is 3-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]benzamide.
What is the SMILES notation for 3-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]benzamide?
The canonical SMILES for 3-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]benzamide is CCN/C(=N\Cc1cccc(C(N)=O)c1)N1CCOC(c2ccccc2C)C1.
What is the InChIKey of 3-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]benzamide?
The InChIKey is VIGRPVWAYPWYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-3-24-22(25-14-17-8-6-9-18(13-17)21(23)27)26-11-12-28-20(15-26)19-10-5-4-7-16(19)2/h4-10,13,20H,3,11-12,14-15H2,1-2H3,(H2,23,27)(H,24,25).
What are the key properties of 3-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]benzamide?
3-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]benzamide has a molecular weight of 380.49 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]benzamide is sourced from PubChem (CID 109481109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).