N-cyclohexyl-3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide

C27H30N4O4 — CID 54831065

IUPACN-cyclohexyl-3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
SMILESO=C(CNc1cccc(C(=O)NC2CCCCC2)c1)Nc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C27H30N4O4/c32-25(30-23-12-5-7-19(16-23)26(33)29-17-24-13-6-14-35-24)18-28-22-11-4-8-20(15-22)27(34)31-21-9-2-1-3-10-21/h4-8,11-16,21,28H,1-3,9-10,17-18H2,(H,29,33)(H,30,32)(H,31,34)
InChIKeyZSWCYWKPJVFSPQ-UHFFFAOYSA-N
MW474.56 g/mol
LogP4.32
Rot. Bonds9

About N-cyclohexyl-3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide

N-cyclohexyl-3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54831065) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is N-cyclohexyl-3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
PubChem CID54831065
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC NameN-cyclohexyl-3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
SMILESO=C(CNc1cccc(C(=O)NC2CCCCC2)c1)Nc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C27H30N4O4/c32-25(30-23-12-5-7-19(16-23)26(33)29-17-24-13-6-14-35-24)18-28-22-11-4-8-20(15-22)27(34)31-21-9-2-1-3-10-21/h4-8,11-16,21,28H,1-3,9-10,17-18H2,(H,29,33)(H,30,32)(H,31,34)
InChIKeyZSWCYWKPJVFSPQ-UHFFFAOYSA-N
XLogP4.32
TPSA112.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 54.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]benzamide
CID 54831186
3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54834582
3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834396
3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54839990
N-(furan-2-ylmethyl)-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810881
3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833526
3-[[2-(3-chloroanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54809268
N-(furan-2-ylmethyl)-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54841123
N-(furan-2-ylmethyl)-3-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54834609
N-(furan-2-ylmethyl)-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 54834687
3-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834477
3-[[2-(3-ethoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54826254

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-cyclohexyl-3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide (CID 54831065) is N-cyclohexyl-3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide is O=C(CNc1cccc(C(=O)NC2CCCCC2)c1)Nc1cccc(C(=O)NCc2ccco2)c1.
What is the InChIKey of N-cyclohexyl-3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is ZSWCYWKPJVFSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c32-25(30-23-12-5-7-19(16-23)26(33)29-17-24-13-6-14-35-24)18-28-22-11-4-8-20(15-22)27(34)31-21-9-2-1-3-10-21/h4-8,11-16,21,28H,1-3,9-10,17-18H2,(H,29,33)(H,30,32)(H,31,34).
What are the key properties of N-cyclohexyl-3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
N-cyclohexyl-3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 474.56 g/mol, XLogP of 4.32, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54831065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).