N-benzyl-3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]propanamide

C24H32N4O2 — CID 109479523

IUPACN-benzyl-3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]propanamide
SMILESCCN/C(=N\CCC(=O)NCc1ccccc1)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C24H32N4O2/c1-3-25-24(26-14-13-23(29)27-17-20-10-5-4-6-11-20)28-15-16-30-22(18-28)21-12-8-7-9-19(21)2/h4-12,22H,3,13-18H2,1-2H3,(H,25,26)(H,27,29)
InChIKeyPQIWXEZHALHBCQ-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.04
Rot. Bonds7

About N-benzyl-3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]propanamide

N-benzyl-3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]propanamide (PubChem CID 109479523) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-benzyl-3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]propanamide
PubChem CID109479523
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC NameN-benzyl-3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]propanamide
SMILESCCN/C(=N\CCC(=O)NCc1ccccc1)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C24H32N4O2/c1-3-25-24(26-14-13-23(29)27-17-20-10-5-4-6-11-20)28-15-16-30-22(18-28)21-12-8-7-9-19(21)2/h4-12,22H,3,13-18H2,1-2H3,(H,25,26)(H,27,29)
InChIKeyPQIWXEZHALHBCQ-UHFFFAOYSA-N
XLogP3.04
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.04
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'}

Analyze N-benzyl-3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]propanamide 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

3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]-N-propan-2-ylpropanamide
CID 109481577
N'-[2-(benzenesulfinyl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109479699
N'-[2-(benzenesulfinyl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479698
N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481449
N'-[2-(benzenesulfonyl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480604
N-[2-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 109480489
N-[2-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 109479544
N-[4-[2-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]ethyl]phenyl]acetamide;hydroiodide
CID 109481476
N'-(2-ethoxyethyl)-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479664
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
3-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]benzamide
CID 109481109

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]propanamide?
The IUPAC name of N-benzyl-3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]propanamide (CID 109479523) is N-benzyl-3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]propanamide.
What is the SMILES notation for N-benzyl-3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]propanamide?
The canonical SMILES for N-benzyl-3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]propanamide is CCN/C(=N\CCC(=O)NCc1ccccc1)N1CCOC(c2ccccc2C)C1.
What is the InChIKey of N-benzyl-3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]propanamide?
The InChIKey is PQIWXEZHALHBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-3-25-24(26-14-13-23(29)27-17-20-10-5-4-6-11-20)28-15-16-30-22(18-28)21-12-8-7-9-19(21)2/h4-12,22H,3,13-18H2,1-2H3,(H,25,26)(H,27,29).
What are the key properties of N-benzyl-3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]propanamide?
N-benzyl-3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]propanamide has a molecular weight of 408.55 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]propanamide is sourced from PubChem (CID 109479523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).