2-[[[2-(2-methoxyphenoxy)propylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide

C22H37N5O4 — CID 111503397

IUPAC2-[[[2-(2-methoxyphenoxy)propylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCOc1ccccc1OC(C)CN/C(=N/CC(=O)N(C)C)NCCCN1CCOCC1
InChIInChI=1S/C22H37N5O4/c1-18(31-20-9-6-5-8-19(20)29-4)16-24-22(25-17-21(28)26(2)3)23-10-7-11-27-12-14-30-15-13-27/h5-6,8-9,18H,7,10-17H2,1-4H3,(H2,23,24,25)
InChIKeyGLQLIROAZPRJNW-UHFFFAOYSA-N
MW435.57 g/mol
LogP0.81
Rot. Bonds11

About 2-[[[2-(2-methoxyphenoxy)propylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[[2-(2-methoxyphenoxy)propylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 111503397) has the molecular formula C22H37N5O4 and a molecular weight of 435.57 g/mol. Its IUPAC name is 2-[[[2-(2-methoxyphenoxy)propylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[[2-(2-methoxyphenoxy)propylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID111503397
Molecular FormulaC22H37N5O4
Molecular Weight435.57 g/mol
Exact Mass435.28
IUPAC Name2-[[[2-(2-methoxyphenoxy)propylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCOc1ccccc1OC(C)CN/C(=N/CC(=O)N(C)C)NCCCN1CCOCC1
InChIInChI=1S/C22H37N5O4/c1-18(31-20-9-6-5-8-19(20)29-4)16-24-22(25-17-21(28)26(2)3)23-10-7-11-27-12-14-30-15-13-27/h5-6,8-9,18H,7,10-17H2,1-4H3,(H2,23,24,25)
InChIKeyGLQLIROAZPRJNW-UHFFFAOYSA-N
XLogP0.81
TPSA87.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[[2-(3-fluorophenoxy)propylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111503408
2-[[[2-(2-fluorophenoxy)butylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111968977
1-ethyl-2-[2-(2-methoxyphenoxy)propyl]-3-(3-morpholin-4-ylpropyl)guanidine
CID 111494298
2-[[[[3-(4-methoxyphenyl)-2-methylpropyl]amino]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110034072
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-(2-thiophen-2-ylethylamino)methylidene]amino]acetamide
CID 111351068
2-[[[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111304890
N,N-dimethyl-2-[[[(3-methyl-1-benzofuran-2-yl)methylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide
CID 111603896
2-[[(hexylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111161106
2-[[[2-(3-fluorophenyl)ethylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111365117
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[(1-phenylsulfanylcyclopropyl)methylamino]methylidene]amino]acetamide
CID 111557855
2-[[[1-(2,3-dihydro-1-benzofuran-3-yl)ethylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110049195
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[3-(triazol-1-yl)propylamino]methylidene]amino]acetamide
CID 110037157

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(2-methoxyphenoxy)propylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[[2-(2-methoxyphenoxy)propylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide (CID 111503397) is 2-[[[2-(2-methoxyphenoxy)propylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[[2-(2-methoxyphenoxy)propylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[[2-(2-methoxyphenoxy)propylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide is COc1ccccc1OC(C)CN/C(=N/CC(=O)N(C)C)NCCCN1CCOCC1.
What is the InChIKey of 2-[[[2-(2-methoxyphenoxy)propylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is GLQLIROAZPRJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N5O4/c1-18(31-20-9-6-5-8-19(20)29-4)16-24-22(25-17-21(28)26(2)3)23-10-7-11-27-12-14-30-15-13-27/h5-6,8-9,18H,7,10-17H2,1-4H3,(H2,23,24,25).
What are the key properties of 2-[[[2-(2-methoxyphenoxy)propylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[[2-(2-methoxyphenoxy)propylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 435.57 g/mol, XLogP of 0.81, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(2-methoxyphenoxy)propylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 111503397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).