2-(N-acetyl-2-cyanoanilino)-N-(furan-2-ylmethyl)acetamide

C16H15N3O3 — CID 113180649

IUPAC2-(N-acetyl-2-cyanoanilino)-N-(furan-2-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCc1ccco1)c1ccccc1C#N
InChIInChI=1S/C16H15N3O3/c1-12(20)19(15-7-3-2-5-13(15)9-17)11-16(21)18-10-14-6-4-8-22-14/h2-8H,10-11H2,1H3,(H,18,21)
InChIKeyMBJZCQPWGSWEIB-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.82
Rot. Bonds5

About 2-(N-acetyl-2-cyanoanilino)-N-(furan-2-ylmethyl)acetamide

2-(N-acetyl-2-cyanoanilino)-N-(furan-2-ylmethyl)acetamide (PubChem CID 113180649) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-(N-acetyl-2-cyanoanilino)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-cyanoanilino)-N-(furan-2-ylmethyl)acetamide
PubChem CID113180649
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name2-(N-acetyl-2-cyanoanilino)-N-(furan-2-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCc1ccco1)c1ccccc1C#N
InChIInChI=1S/C16H15N3O3/c1-12(20)19(15-7-3-2-5-13(15)9-17)11-16(21)18-10-14-6-4-8-22-14/h2-8H,10-11H2,1H3,(H,18,21)
InChIKeyMBJZCQPWGSWEIB-UHFFFAOYSA-N
XLogP1.82
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyano-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 113157141
2-(N-acetyl-5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)acetamide
CID 113171850
2-(N-acetyl-2-cyanoanilino)-N-(2-chlorophenyl)acetamide
CID 113180740
2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(furan-2-ylmethyl)acetamide
CID 113179129
2-(N-acetyl-2-cyanoanilino)-N-(2,4-dimethylphenyl)acetamide
CID 113180721
2-[(2-cyanophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)acetamide
CID 94804302
2-(N-acetyl-2-cyanoanilino)-N-(4-ethoxyphenyl)acetamide
CID 113180757
2-(N-acetyl-2-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113180672
N-ethyl-2-[ethyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]acetamide
CID 26519118
2-[bis(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 60686494
2-(N-acetyl-2,3-dimethylanilino)-N-(2-cyanophenyl)acetamide
CID 113169003
1-N-(2-cyanophenyl)-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109134958

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-cyanoanilino)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(N-acetyl-2-cyanoanilino)-N-(furan-2-ylmethyl)acetamide (CID 113180649) is 2-(N-acetyl-2-cyanoanilino)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-2-cyanoanilino)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(N-acetyl-2-cyanoanilino)-N-(furan-2-ylmethyl)acetamide is CC(=O)N(CC(=O)NCc1ccco1)c1ccccc1C#N.
What is the InChIKey of 2-(N-acetyl-2-cyanoanilino)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is MBJZCQPWGSWEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-12(20)19(15-7-3-2-5-13(15)9-17)11-16(21)18-10-14-6-4-8-22-14/h2-8H,10-11H2,1H3,(H,18,21).
What are the key properties of 2-(N-acetyl-2-cyanoanilino)-N-(furan-2-ylmethyl)acetamide?
2-(N-acetyl-2-cyanoanilino)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 297.31 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-cyanoanilino)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 113180649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).