2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide

C28H23N3O4 — CID 34141104

IUPAC2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
SMILESCN(C(=O)COc1ccc(-c2ccc(C#N)cc2)cc1)c1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C28H23N3O4/c1-31(26-7-3-2-6-25(26)28(33)30-18-24-5-4-16-34-24)27(32)19-35-23-14-12-22(13-15-23)21-10-8-20(17-29)9-11-21/h2-16H,18-19H2,1H3,(H,30,33)
InChIKeyMDMLWDOLRTYXQC-UHFFFAOYSA-N
MW465.51 g/mol
LogP4.79
Rot. Bonds8

About 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide

2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 34141104) has the molecular formula C28H23N3O4 and a molecular weight of 465.51 g/mol. Its IUPAC name is 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
PubChem CID34141104
Molecular FormulaC28H23N3O4
Molecular Weight465.51 g/mol
Exact Mass465.17
IUPAC Name2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
SMILESCN(C(=O)COc1ccc(-c2ccc(C#N)cc2)cc1)c1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C28H23N3O4/c1-31(26-7-3-2-6-25(26)28(33)30-18-24-5-4-16-34-24)27(32)19-35-23-14-12-22(13-15-23)21-10-8-20(17-29)9-11-21/h2-16H,18-19H2,1H3,(H,30,33)
InChIKeyMDMLWDOLRTYXQC-UHFFFAOYSA-N
XLogP4.79
TPSA95.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(4-acetylphenoxy)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
CID 34090050
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 4-prop-2-enoxybenzoate
CID 55570843
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 4-hydroxybenzoate
CID 55397483
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 34795367
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate
CID 55399528
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 55399444
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] furan-3-carboxylate
CID 18154760
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 55401207
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate
CID 55402571
N-(furan-2-ylmethyl)-2-[methyl-[2-[methyl(naphthalen-2-yl)amino]acetyl]amino]benzamide
CID 78818353
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 1-ethylsulfonylpiperidine-4-carboxylate
CID 55403926
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 34648175

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide (CID 34141104) is 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide is CN(C(=O)COc1ccc(-c2ccc(C#N)cc2)cc1)c1ccccc1C(=O)NCc1ccco1.
What is the InChIKey of 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is MDMLWDOLRTYXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O4/c1-31(26-7-3-2-6-25(26)28(33)30-18-24-5-4-16-34-24)27(32)19-35-23-14-12-22(13-15-23)21-10-8-20(17-29)9-11-21/h2-16H,18-19H2,1H3,(H,30,33).
What are the key properties of 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide?
2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 465.51 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 34141104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).