2-[[[(4-ethoxyphenyl)methyl-methylamino]-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide

C20H28N4O3 — CID 111275303

IUPAC2-[[[(4-ethoxyphenyl)methyl-methylamino]-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide
SMILESCCN/C(=N\CC(=O)NCc1ccco1)N(C)Cc1ccc(OCC)cc1
InChIInChI=1S/C20H28N4O3/c1-4-21-20(23-14-19(25)22-13-18-7-6-12-27-18)24(3)15-16-8-10-17(11-9-16)26-5-2/h6-12H,4-5,13-15H2,1-3H3,(H,21,23)(H,22,25)
InChIKeyXEBHUBSIFLKZOR-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.39
Rot. Bonds9

About 2-[[[(4-ethoxyphenyl)methyl-methylamino]-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide

2-[[[(4-ethoxyphenyl)methyl-methylamino]-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 111275303) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[[[(4-ethoxyphenyl)methyl-methylamino]-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[[(4-ethoxyphenyl)methyl-methylamino]-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide
PubChem CID111275303
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name2-[[[(4-ethoxyphenyl)methyl-methylamino]-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide
SMILESCCN/C(=N\CC(=O)NCc1ccco1)N(C)Cc1ccc(OCC)cc1
InChIInChI=1S/C20H28N4O3/c1-4-21-20(23-14-19(25)22-13-18-7-6-12-27-18)24(3)15-16-8-10-17(11-9-16)26-5-2/h6-12H,4-5,13-15H2,1-3H3,(H,21,23)(H,22,25)
InChIKeyXEBHUBSIFLKZOR-UHFFFAOYSA-N
XLogP2.39
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.39
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-[[[(4-ethoxyphenyl)methyl-methylamino]-(ethylamino)methylidene]amino]-N-propylacetamide;hydroiodide
CID 111275416
2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111010318
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 4818761
3-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)propanamide
CID 19225996
2-[[[benzyl(methyl)amino]-(ethylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 110950631
N-[(4-ethoxyphenyl)methyl]-3-(furan-2-yl)-N-methylpropanamide
CID 78779679
4-[[[[(4-ethoxyphenyl)methyl-methylamino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111275206
1-[(4-ethoxyphenyl)methyl]-3-ethyl-1-methyl-2-prop-2-ynylguanidine
CID 111275625
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 9079933
2-[3-[[[[(4-ethoxyphenyl)methyl-methylamino]-(ethylamino)methylidene]amino]methyl]phenoxy]-N,N-dimethylacetamide
CID 111274915
1-[(4-ethoxyphenyl)methyl]-3-ethyl-1-methyl-2-[[3-(methylsulfamoylmethyl)phenyl]methyl]guanidine
CID 111274973
5-[(4-ethoxyphenoxy)methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 19413326

Frequently Asked Questions

What is the IUPAC name of 2-[[[(4-ethoxyphenyl)methyl-methylamino]-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[[(4-ethoxyphenyl)methyl-methylamino]-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide (CID 111275303) is 2-[[[(4-ethoxyphenyl)methyl-methylamino]-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[[(4-ethoxyphenyl)methyl-methylamino]-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[[(4-ethoxyphenyl)methyl-methylamino]-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide is CCN/C(=N\CC(=O)NCc1ccco1)N(C)Cc1ccc(OCC)cc1.
What is the InChIKey of 2-[[[(4-ethoxyphenyl)methyl-methylamino]-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is XEBHUBSIFLKZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-4-21-20(23-14-19(25)22-13-18-7-6-12-27-18)24(3)15-16-8-10-17(11-9-16)26-5-2/h6-12H,4-5,13-15H2,1-3H3,(H,21,23)(H,22,25).
What are the key properties of 2-[[[(4-ethoxyphenyl)methyl-methylamino]-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide?
2-[[[(4-ethoxyphenyl)methyl-methylamino]-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 372.47 g/mol, XLogP of 2.39, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(4-ethoxyphenyl)methyl-methylamino]-(ethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 111275303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).