3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]-N-propan-2-ylpropanamide

C20H32N4O2 — CID 109481577

IUPAC3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]-N-propan-2-ylpropanamide
SMILESCCN/C(=N\CCC(=O)NC(C)C)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C20H32N4O2/c1-5-21-20(22-11-10-19(25)23-15(2)3)24-12-13-26-18(14-24)17-9-7-6-8-16(17)4/h6-9,15,18H,5,10-14H2,1-4H3,(H,21,22)(H,23,25)
InChIKeyMTRNRTRWQVHEON-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.25
Rot. Bonds6

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

3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]-N-propan-2-ylpropanamide (PubChem CID 109481577) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]-N-propan-2-ylpropanamide
PubChem CID109481577
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]-N-propan-2-ylpropanamide
SMILESCCN/C(=N\CCC(=O)NC(C)C)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C20H32N4O2/c1-5-21-20(22-11-10-19(25)23-15(2)3)24-12-13-26-18(14-24)17-9-7-6-8-16(17)4/h6-9,15,18H,5,10-14H2,1-4H3,(H,21,22)(H,23,25)
InChIKeyMTRNRTRWQVHEON-UHFFFAOYSA-N
XLogP2.25
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.25
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

N-benzyl-3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]propanamide
CID 109479523
N-[2-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 109480489
N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481449
N-[4-[2-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]ethyl]phenyl]acetamide;hydroiodide
CID 109481476
N'-[2-(benzenesulfinyl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109479699
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'-[2-(benzenesulfonyl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480604
N'-[2-(benzenesulfinyl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479698
N-butan-2-yl-3-[[N-methyl-C-[2-(2-methylphenyl)morpholin-4-yl]carbonimidoyl]amino]propanamide;hydroiodide
CID 109479676
N-ethyl-N'-[3-(ethylsulfonylamino)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481495
N-ethyl-N'-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480370

Frequently Asked Questions

What is the IUPAC name of 3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]-N-propan-2-ylpropanamide (CID 109481577) is 3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]-N-propan-2-ylpropanamide is CCN/C(=N\CCC(=O)NC(C)C)N1CCOC(c2ccccc2C)C1.
What is the InChIKey of 3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]-N-propan-2-ylpropanamide?
The InChIKey is MTRNRTRWQVHEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-5-21-20(22-11-10-19(25)23-15(2)3)24-12-13-26-18(14-24)17-9-7-6-8-16(17)4/h6-9,15,18H,5,10-14H2,1-4H3,(H,21,22)(H,23,25).
What are the key properties of 3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]-N-propan-2-ylpropanamide?
3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]-N-propan-2-ylpropanamide has a molecular weight of 360.50 g/mol, XLogP of 2.25, 6 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]-N-propan-2-ylpropanamide is sourced from PubChem (CID 109481577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).