N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-(dimethylamino)acetamide

C13H15N3O2 — CID 20843932

IUPACN-[(E)-1-benzofuran-2-ylmethylideneamino]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)N/N=C/c1cc2ccccc2o1
InChIInChI=1S/C13H15N3O2/c1-16(2)9-13(17)15-14-8-11-7-10-5-3-4-6-12(10)18-11/h3-8H,9H2,1-2H3,(H,15,17)/b14-8+
InChIKeyQBVDHACSSBWTAR-RIYZIHGNSA-N
MW245.28 g/mol
LogP1.44
Rot. Bonds4

About N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-(dimethylamino)acetamide

N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-(dimethylamino)acetamide (PubChem CID 20843932) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[(E)-1-benzofuran-2-ylmethylideneamino]-2-(dimethylamino)acetamide
PubChem CID20843932
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-[(E)-1-benzofuran-2-ylmethylideneamino]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)N/N=C/c1cc2ccccc2o1
InChIInChI=1S/C13H15N3O2/c1-16(2)9-13(17)15-14-8-11-7-10-5-3-4-6-12(10)18-11/h3-8H,9H2,1-2H3,(H,15,17)/b14-8+
InChIKeyQBVDHACSSBWTAR-RIYZIHGNSA-N
XLogP1.44
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-pyrrolidin-1-ylacetamide;hydrate;hydrochloride
CID 134098075
N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-(1-phenylpropan-2-ylamino)acetamide
CID 20838461
N-(1-benzofuran-2-ylmethylideneamino)-2-methyl-3-phenylprop-2-enamide
CID 6735281
N-[(E)-1-benzofuran-2-ylmethylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 45109193
N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-benzylbenzamide
CID 45109132
N-[(E)-1-benzofuran-2-ylmethylideneamino]-N-methylmethanamine;N,N-dimethylmethanamine;ethane
CID 172921772
(E)-3-(1,3-benzodioxol-5-yl)-N-[(E)-1-benzofuran-2-ylmethylideneamino]prop-2-enamide
CID 45109234
2-(dimethylamino)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 15703243
N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 6886154
methyl 3-(1-benzofuran-2-yl)prop-2-enoate
CID 1479261
1-(1-benzofuran-2-yl)-N-phenylmethanimine
CID 102313408
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(Z)-(4-bromo-5-methylfuran-2-yl)methylideneamino]acetamide
CID 94838500

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-(dimethylamino)acetamide?
The IUPAC name of N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-(dimethylamino)acetamide (CID 20843932) is N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-(dimethylamino)acetamide is CN(C)CC(=O)N/N=C/c1cc2ccccc2o1.
What is the InChIKey of N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-(dimethylamino)acetamide?
The InChIKey is QBVDHACSSBWTAR-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-16(2)9-13(17)15-14-8-11-7-10-5-3-4-6-12(10)18-11/h3-8H,9H2,1-2H3,(H,15,17)/b14-8+.
What are the key properties of N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-(dimethylamino)acetamide?
N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-(dimethylamino)acetamide has a molecular weight of 245.28 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-(dimethylamino)acetamide is sourced from PubChem (CID 20843932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).