N-(4-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide

C15H15N3O2 — CID 61222771

IUPACN-(4-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(C#N)cc1)Cc1ccoc1
InChIInChI=1S/C15H15N3O2/c1-18(9-13-6-7-20-11-13)10-15(19)17-14-4-2-12(8-16)3-5-14/h2-7,11H,9-10H2,1H3,(H,17,19)
InChIKeyWLOMYYSCTGPYMR-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.22
Rot. Bonds5

About N-(4-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide

N-(4-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide (PubChem CID 61222771) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide
PubChem CID61222771
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN-(4-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(C#N)cc1)Cc1ccoc1
InChIInChI=1S/C15H15N3O2/c1-18(9-13-6-7-20-11-13)10-15(19)17-14-4-2-12(8-16)3-5-14/h2-7,11H,9-10H2,1H3,(H,17,19)
InChIKeyWLOMYYSCTGPYMR-UHFFFAOYSA-N
XLogP2.22
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[furan-3-ylmethyl(methyl)amino]acetyl]benzonitrile
CID 62034806
N-(4-cyanophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761634
N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8712093
2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43216434
2-[(5-bromothiophen-3-yl)methyl-methylamino]-N-(4-cyanophenyl)acetamide
CID 60977090
2-[2-aminoethyl(methyl)amino]-N-(4-cyanophenyl)acetamide
CID 62686451
N-[3-(aminomethyl)phenyl]-2-[furan-3-ylmethyl(methyl)amino]acetamide
CID 61422115
2-[(4-cyanophenyl)methyl-methylamino]-N-(3-methylphenyl)acetamide
CID 86931145
2-[(4-cyanophenyl)methyl-methylamino]-N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]acetamide
CID 55628504
3-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
CID 28792972
N-(4-cyanophenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]acetamide
CID 2699365
N-(4-cyanophenyl)-2-[methyl(2-methylsulfonylethyl)amino]acetamide
CID 78925005

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide (CID 61222771) is N-(4-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide is CN(CC(=O)Nc1ccc(C#N)cc1)Cc1ccoc1.
What is the InChIKey of N-(4-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide?
The InChIKey is WLOMYYSCTGPYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-18(9-13-6-7-20-11-13)10-15(19)17-14-4-2-12(8-16)3-5-14/h2-7,11H,9-10H2,1H3,(H,17,19).
What are the key properties of N-(4-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide?
N-(4-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide has a molecular weight of 269.30 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide is sourced from PubChem (CID 61222771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).