N,N-dimethyl-2-[[[2-(2-methylphenyl)morpholin-4-yl]-(propylamino)methylidene]amino]acetamide

C19H30N4O2 — CID 110043665

IUPACN,N-dimethyl-2-[[[2-(2-methylphenyl)morpholin-4-yl]-(propylamino)methylidene]amino]acetamide
SMILESCCCN/C(=N\CC(=O)N(C)C)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C19H30N4O2/c1-5-10-20-19(21-13-18(24)22(3)4)23-11-12-25-17(14-23)16-9-7-6-8-15(16)2/h6-9,17H,5,10-14H2,1-4H3,(H,20,21)
InChIKeySDBHJVOIXUFTNY-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.81
Rot. Bonds5

About N,N-dimethyl-2-[[[2-(2-methylphenyl)morpholin-4-yl]-(propylamino)methylidene]amino]acetamide

N,N-dimethyl-2-[[[2-(2-methylphenyl)morpholin-4-yl]-(propylamino)methylidene]amino]acetamide (PubChem CID 110043665) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[2-(2-methylphenyl)morpholin-4-yl]-(propylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[[2-(2-methylphenyl)morpholin-4-yl]-(propylamino)methylidene]amino]acetamide
PubChem CID110043665
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN,N-dimethyl-2-[[[2-(2-methylphenyl)morpholin-4-yl]-(propylamino)methylidene]amino]acetamide
SMILESCCCN/C(=N\CC(=O)N(C)C)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C19H30N4O2/c1-5-10-20-19(21-13-18(24)22(3)4)23-11-12-25-17(14-23)16-9-7-6-8-15(16)2/h6-9,17H,5,10-14H2,1-4H3,(H,20,21)
InChIKeySDBHJVOIXUFTNY-UHFFFAOYSA-N
XLogP1.81
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.81
H-Bond Donors ≤ 51
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

2-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]-N,N-dimethylacetamide
CID 109480637
2-[[(3-ethoxypropylamino)-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110043672
2-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 109480413
1-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 109481865
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-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109479443
N-[4-(diethylamino)butyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480236
ethyl 2-(2-methylphenyl)morpholine-4-carboxylate
CID 71684137
3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]-2,2-dimethylpropanamide
CID 109480378
N'-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479442
N'-(2-ethoxyethyl)-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479664

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[[2-(2-methylphenyl)morpholin-4-yl]-(propylamino)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[[2-(2-methylphenyl)morpholin-4-yl]-(propylamino)methylidene]amino]acetamide (CID 110043665) is N,N-dimethyl-2-[[[2-(2-methylphenyl)morpholin-4-yl]-(propylamino)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[[2-(2-methylphenyl)morpholin-4-yl]-(propylamino)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[[2-(2-methylphenyl)morpholin-4-yl]-(propylamino)methylidene]amino]acetamide is CCCN/C(=N\CC(=O)N(C)C)N1CCOC(c2ccccc2C)C1.
What is the InChIKey of N,N-dimethyl-2-[[[2-(2-methylphenyl)morpholin-4-yl]-(propylamino)methylidene]amino]acetamide?
The InChIKey is SDBHJVOIXUFTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-5-10-20-19(21-13-18(24)22(3)4)23-11-12-25-17(14-23)16-9-7-6-8-15(16)2/h6-9,17H,5,10-14H2,1-4H3,(H,20,21).
What are the key properties of N,N-dimethyl-2-[[[2-(2-methylphenyl)morpholin-4-yl]-(propylamino)methylidene]amino]acetamide?
N,N-dimethyl-2-[[[2-(2-methylphenyl)morpholin-4-yl]-(propylamino)methylidene]amino]acetamide has a molecular weight of 346.48 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[[2-(2-methylphenyl)morpholin-4-yl]-(propylamino)methylidene]amino]acetamide is sourced from PubChem (CID 110043665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).