2-[[(2,3-dihydro-1-benzofuran-2-ylmethylamino)-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide

C19H24N4O3 — CID 111948981

IUPAC2-[[(2,3-dihydro-1-benzofuran-2-ylmethylamino)-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide
SMILESCCN/C(=N\CC(=O)NCc1ccco1)NCC1Cc2ccccc2O1
InChIInChI=1S/C19H24N4O3/c1-2-20-19(23-13-18(24)21-11-15-7-5-9-25-15)22-12-16-10-14-6-3-4-8-17(14)26-16/h3-9,16H,2,10-13H2,1H3,(H,21,24)(H2,20,22,23)
InChIKeyYJJPBQUYUWYZCS-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.45
Rot. Bonds7

About 2-[[(2,3-dihydro-1-benzofuran-2-ylmethylamino)-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide

2-[[(2,3-dihydro-1-benzofuran-2-ylmethylamino)-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 111948981) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[[(2,3-dihydro-1-benzofuran-2-ylmethylamino)-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[(2,3-dihydro-1-benzofuran-2-ylmethylamino)-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide
PubChem CID111948981
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name2-[[(2,3-dihydro-1-benzofuran-2-ylmethylamino)-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide
SMILESCCN/C(=N\CC(=O)NCc1ccco1)NCC1Cc2ccccc2O1
InChIInChI=1S/C19H24N4O3/c1-2-20-19(23-13-18(24)21-11-15-7-5-9-25-15)22-12-16-10-14-6-3-4-8-17(14)26-16/h3-9,16H,2,10-13H2,1H3,(H,21,24)(H2,20,22,23)
InChIKeyYJJPBQUYUWYZCS-UHFFFAOYSA-N
XLogP1.45
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.45
H-Bond Donors ≤ 53
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

N-[4-[[[(2,3-dihydro-1-benzofuran-2-ylmethylamino)-(ethylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 111950015
2-(cyclopropylmethyl)-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylguanidine;hydroiodide
CID 111868433
2-[[[[2-(diethylamino)-2-phenylethyl]amino]-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide
CID 111011215
3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(furan-2-ylmethyl)-1-methylurea
CID 53497871
N-[4-[[[(2,3-dihydro-1-benzofuran-2-ylmethylamino)-(ethylamino)methylidene]amino]methyl]phenyl]butanamide;hydroiodide
CID 111950322
4-[[[(2,3-dihydro-1-benzofuran-2-ylmethylamino)-(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide
CID 111873801
tert-butyl N-[3-[[N-ethyl-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]carbamimidoyl]amino]propyl]carbamate
CID 111886201
N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 16649113
2-[[ethylamino-(furan-2-ylmethylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 110937849
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethyl-2-(2-hydroxy-2-phenylpropyl)guanidine;hydroiodide
CID 109418203
2-[[ethylamino-(4-methylpentylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111942488
tert-butyl 3-[[N-ethyl-N'-[2-(furan-2-ylmethylamino)-2-oxoethyl]carbamimidoyl]amino]azetidine-1-carboxylate
CID 109465352

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,3-dihydro-1-benzofuran-2-ylmethylamino)-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[(2,3-dihydro-1-benzofuran-2-ylmethylamino)-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide (CID 111948981) is 2-[[(2,3-dihydro-1-benzofuran-2-ylmethylamino)-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[(2,3-dihydro-1-benzofuran-2-ylmethylamino)-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[(2,3-dihydro-1-benzofuran-2-ylmethylamino)-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide is CCN/C(=N\CC(=O)NCc1ccco1)NCC1Cc2ccccc2O1.
What is the InChIKey of 2-[[(2,3-dihydro-1-benzofuran-2-ylmethylamino)-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is YJJPBQUYUWYZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-2-20-19(23-13-18(24)21-11-15-7-5-9-25-15)22-12-16-10-14-6-3-4-8-17(14)26-16/h3-9,16H,2,10-13H2,1H3,(H,21,24)(H2,20,22,23).
What are the key properties of 2-[[(2,3-dihydro-1-benzofuran-2-ylmethylamino)-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide?
2-[[(2,3-dihydro-1-benzofuran-2-ylmethylamino)-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 356.43 g/mol, XLogP of 1.45, 7 rotatable bonds, 3 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)-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 111948981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).