2-[[(2-methoxyethylamino)-[3-(oxolan-3-yloxy)propylamino]methylidene]amino]-N,N-dimethylacetamide

C15H30N4O4 — CID 110046051

IUPAC2-[[(2-methoxyethylamino)-[3-(oxolan-3-yloxy)propylamino]methylidene]amino]-N,N-dimethylacetamide
SMILESCOCCN/C(=N\CC(=O)N(C)C)NCCCOC1CCOC1
InChIInChI=1S/C15H30N4O4/c1-19(2)14(20)11-18-15(17-7-10-21-3)16-6-4-8-23-13-5-9-22-12-13/h13H,4-12H2,1-3H3,(H2,16,17,18)
InChIKeyGTLDKQZMRBOTFS-UHFFFAOYSA-N
MW330.43 g/mol
LogP-0.55
Rot. Bonds10

About 2-[[(2-methoxyethylamino)-[3-(oxolan-3-yloxy)propylamino]methylidene]amino]-N,N-dimethylacetamide

2-[[(2-methoxyethylamino)-[3-(oxolan-3-yloxy)propylamino]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110046051) has the molecular formula C15H30N4O4 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-[[(2-methoxyethylamino)-[3-(oxolan-3-yloxy)propylamino]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(2-methoxyethylamino)-[3-(oxolan-3-yloxy)propylamino]methylidene]amino]-N,N-dimethylacetamide
PubChem CID110046051
Molecular FormulaC15H30N4O4
Molecular Weight330.43 g/mol
Exact Mass330.23
IUPAC Name2-[[(2-methoxyethylamino)-[3-(oxolan-3-yloxy)propylamino]methylidene]amino]-N,N-dimethylacetamide
SMILESCOCCN/C(=N\CC(=O)N(C)C)NCCCOC1CCOC1
InChIInChI=1S/C15H30N4O4/c1-19(2)14(20)11-18-15(17-7-10-21-3)16-6-4-8-23-13-5-9-22-12-13/h13H,4-12H2,1-3H3,(H2,16,17,18)
InChIKeyGTLDKQZMRBOTFS-UHFFFAOYSA-N
XLogP-0.55
TPSA84.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N,N-dimethyl-2-[[[3-(oxolan-3-yloxy)propylamino]-(prop-2-enylamino)methylidene]amino]acetamide
CID 110046059
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-[3-(oxolan-3-yloxy)propylamino]methylidene]amino]acetamide
CID 110046061
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[3-(oxolan-3-yloxy)propylamino]methylidene]amino]acetamide
CID 110046025
2-[[[2-(4-methoxyphenyl)ethylamino]-[3-(oxolan-3-yloxy)propylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110046033
N,N-dimethyl-2-[[[3-(oxolan-3-yloxy)propylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]acetamide;hydroiodide
CID 110046068
2-[[butylamino-[1-(oxolan-3-yloxy)propan-2-ylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110044697
2-[[(3-ethoxypropylamino)-[3-(oxolan-3-ylmethoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111647821
2-[[(3-ethoxypropylamino)-(3-methoxypropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110975876
2-[[(cyclohexylmethylamino)-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111491784
2-[[butylamino-(2-cycloheptyloxyethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111576341
2-[[(2-methoxyethylamino)-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110036815
2-[[(2-methoxyethylamino)-[3-(4-methylpiperidin-1-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111544922

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methoxyethylamino)-[3-(oxolan-3-yloxy)propylamino]methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(2-methoxyethylamino)-[3-(oxolan-3-yloxy)propylamino]methylidene]amino]-N,N-dimethylacetamide (CID 110046051) is 2-[[(2-methoxyethylamino)-[3-(oxolan-3-yloxy)propylamino]methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(2-methoxyethylamino)-[3-(oxolan-3-yloxy)propylamino]methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(2-methoxyethylamino)-[3-(oxolan-3-yloxy)propylamino]methylidene]amino]-N,N-dimethylacetamide is COCCN/C(=N\CC(=O)N(C)C)NCCCOC1CCOC1.
What is the InChIKey of 2-[[(2-methoxyethylamino)-[3-(oxolan-3-yloxy)propylamino]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is GTLDKQZMRBOTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O4/c1-19(2)14(20)11-18-15(17-7-10-21-3)16-6-4-8-23-13-5-9-22-12-13/h13H,4-12H2,1-3H3,(H2,16,17,18).
What are the key properties of 2-[[(2-methoxyethylamino)-[3-(oxolan-3-yloxy)propylamino]methylidene]amino]-N,N-dimethylacetamide?
2-[[(2-methoxyethylamino)-[3-(oxolan-3-yloxy)propylamino]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 330.43 g/mol, XLogP of -0.55, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methoxyethylamino)-[3-(oxolan-3-yloxy)propylamino]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110046051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).