N-[4-(furan-2-yl)but-3-en-2-ylideneamino]-2-(2-methoxyanilino)acetamide

C17H19N3O3 — CID 3998227

IUPACN-[4-(furan-2-yl)but-3-en-2-ylideneamino]-2-(2-methoxyanilino)acetamide
SMILESCOc1ccccc1NCC(=O)NN=C(C)C=Cc1ccco1
InChIInChI=1S/C17H19N3O3/c1-13(9-10-14-6-5-11-23-14)19-20-17(21)12-18-15-7-3-4-8-16(15)22-2/h3-11,18H,12H2,1-2H3,(H,20,21)
InChIKeyPZZMPVNIBJGBFE-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.91
Rot. Bonds7

About N-[4-(furan-2-yl)but-3-en-2-ylideneamino]-2-(2-methoxyanilino)acetamide

N-[4-(furan-2-yl)but-3-en-2-ylideneamino]-2-(2-methoxyanilino)acetamide (PubChem CID 3998227) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[4-(furan-2-yl)but-3-en-2-ylideneamino]-2-(2-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)but-3-en-2-ylideneamino]-2-(2-methoxyanilino)acetamide
PubChem CID3998227
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[4-(furan-2-yl)but-3-en-2-ylideneamino]-2-(2-methoxyanilino)acetamide
SMILESCOc1ccccc1NCC(=O)NN=C(C)C=Cc1ccco1
InChIInChI=1S/C17H19N3O3/c1-13(9-10-14-6-5-11-23-14)19-20-17(21)12-18-15-7-3-4-8-16(15)22-2/h3-11,18H,12H2,1-2H3,(H,20,21)
InChIKeyPZZMPVNIBJGBFE-UHFFFAOYSA-N
XLogP2.91
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(Z)-1-(furan-2-yl)ethylideneamino]-2-(2-methoxyanilino)acetamide
CID 5427894
2-(2-chlorophenoxy)-N-[4-(furan-2-yl)but-3-en-2-ylideneamino]acetamide
CID 3566595
N-[2-[2-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 129360095
2-(4-bromonaphthalen-1-yl)oxy-N-[(Z)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]acetamide
CID 6246040
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methoxyanilino)acetamide
CID 5427879
2-(2-bromo-4-methylphenoxy)-N-[(E)-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]acetamide
CID 46501110
2-chloro-N-[[(Z)-4-(furan-2-yl)but-3-en-2-ylidene]amino]benzamide
CID 129440525
N-[1-(1-benzofuran-2-yl)ethylideneamino]-2-(2-methoxyanilino)acetamide
CID 4600843
N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-(2-methoxyanilino)acetamide
CID 6053802
N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-2-(2-methoxyanilino)acetamide
CID 135574173
N-(cyclopentylideneamino)-2-(2-methoxyanilino)acetamide
CID 968177
2-(2-methoxyanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 6910807

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)but-3-en-2-ylideneamino]-2-(2-methoxyanilino)acetamide?
The IUPAC name of N-[4-(furan-2-yl)but-3-en-2-ylideneamino]-2-(2-methoxyanilino)acetamide (CID 3998227) is N-[4-(furan-2-yl)but-3-en-2-ylideneamino]-2-(2-methoxyanilino)acetamide.
What is the SMILES notation for N-[4-(furan-2-yl)but-3-en-2-ylideneamino]-2-(2-methoxyanilino)acetamide?
The canonical SMILES for N-[4-(furan-2-yl)but-3-en-2-ylideneamino]-2-(2-methoxyanilino)acetamide is COc1ccccc1NCC(=O)NN=C(C)C=Cc1ccco1.
What is the InChIKey of N-[4-(furan-2-yl)but-3-en-2-ylideneamino]-2-(2-methoxyanilino)acetamide?
The InChIKey is PZZMPVNIBJGBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-13(9-10-14-6-5-11-23-14)19-20-17(21)12-18-15-7-3-4-8-16(15)22-2/h3-11,18H,12H2,1-2H3,(H,20,21).
What are the key properties of N-[4-(furan-2-yl)but-3-en-2-ylideneamino]-2-(2-methoxyanilino)acetamide?
N-[4-(furan-2-yl)but-3-en-2-ylideneamino]-2-(2-methoxyanilino)acetamide has a molecular weight of 313.36 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)but-3-en-2-ylideneamino]-2-(2-methoxyanilino)acetamide is sourced from PubChem (CID 3998227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).