2-[[(2,3-dihydro-1-benzofuran-2-ylmethylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide

C19H28N4O3 — CID 111654840

IUPAC2-[[(2,3-dihydro-1-benzofuran-2-ylmethylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(\NCC1CCCO1)NCC1Cc2ccccc2O1
InChIInChI=1S/C19H28N4O3/c1-23(2)18(24)13-22-19(20-11-15-7-5-9-25-15)21-12-16-10-14-6-3-4-8-17(14)26-16/h3-4,6,8,15-16H,5,7,9-13H2,1-2H3,(H2,20,21,22)
InChIKeyDGWIKIBVHQCITN-UHFFFAOYSA-N
MW360.46 g/mol
LogP0.79
Rot. Bonds6

About 2-[[(2,3-dihydro-1-benzofuran-2-ylmethylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[(2,3-dihydro-1-benzofuran-2-ylmethylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 111654840) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[[(2,3-dihydro-1-benzofuran-2-ylmethylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(2,3-dihydro-1-benzofuran-2-ylmethylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID111654840
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name2-[[(2,3-dihydro-1-benzofuran-2-ylmethylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(\NCC1CCCO1)NCC1Cc2ccccc2O1
InChIInChI=1S/C19H28N4O3/c1-23(2)18(24)13-22-19(20-11-15-7-5-9-25-15)21-12-16-10-14-6-3-4-8-17(14)26-16/h3-4,6,8,15-16H,5,7,9-13H2,1-2H3,(H2,20,21,22)
InChIKeyDGWIKIBVHQCITN-UHFFFAOYSA-N
XLogP0.79
TPSA75.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[[(cyclohexylmethylamino)-(2,3-dihydro-1-benzofuran-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111863229
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(2-phenylethylamino)methylidene]amino]acetamide
CID 111538345
2-[[(2,3-dihydro-1-benzofuran-2-ylmethylamino)-(1,2,3,4-tetrahydronaphthalen-2-ylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111907662
2-[[(2,3-dihydro-1-benzofuran-2-ylmethylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111777635
N,N-dimethyl-2-[[[(2-methyl-2-phenylpropyl)amino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide
CID 110035855
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(2-pyridin-2-ylethylamino)methylidene]amino]acetamide
CID 111139967
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-(3-phenylpropylamino)methylidene]amino]acetamide
CID 111903609
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(2-thiophen-2-ylethylamino)methylidene]amino]acetamide;hydroiodide
CID 111651221
2-[[[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110047414
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(prop-2-ynylamino)methylidene]amino]acetamide;hydroiodide
CID 119141513
N,N-dimethyl-2-[[(2-methylpropylamino)-(oxan-2-ylmethylamino)methylidene]amino]acetamide
CID 111777829
2-[[(cyclopentylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111495888

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,3-dihydro-1-benzofuran-2-ylmethylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(2,3-dihydro-1-benzofuran-2-ylmethylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide (CID 111654840) is 2-[[(2,3-dihydro-1-benzofuran-2-ylmethylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(2,3-dihydro-1-benzofuran-2-ylmethylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(2,3-dihydro-1-benzofuran-2-ylmethylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide is CN(C)C(=O)C/N=C(\NCC1CCCO1)NCC1Cc2ccccc2O1.
What is the InChIKey of 2-[[(2,3-dihydro-1-benzofuran-2-ylmethylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is DGWIKIBVHQCITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-23(2)18(24)13-22-19(20-11-15-7-5-9-25-15)21-12-16-10-14-6-3-4-8-17(14)26-16/h3-4,6,8,15-16H,5,7,9-13H2,1-2H3,(H2,20,21,22).
What are the key properties of 2-[[(2,3-dihydro-1-benzofuran-2-ylmethylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[(2,3-dihydro-1-benzofuran-2-ylmethylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 360.46 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,3-dihydro-1-benzofuran-2-ylmethylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 111654840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).