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

C20H25N3O3 — CID 54831186

IUPACN-cyclohexyl-3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]benzamide
SMILESO=C(CNc1cccc(C(=O)NC2CCCCC2)c1)NCc1ccco1
InChIInChI=1S/C20H25N3O3/c24-19(22-13-18-10-5-11-26-18)14-21-17-9-4-6-15(12-17)20(25)23-16-7-2-1-3-8-16/h4-6,9-12,16,21H,1-3,7-8,13-14H2,(H,22,24)(H,23,25)
InChIKeyMZKXZPQVCCOHQS-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.07
Rot. Bonds7

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

N-cyclohexyl-3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]benzamide (PubChem CID 54831186) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-cyclohexyl-3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]benzamide
PubChem CID54831186
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-cyclohexyl-3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]benzamide
SMILESO=C(CNc1cccc(C(=O)NC2CCCCC2)c1)NCc1ccco1
InChIInChI=1S/C20H25N3O3/c24-19(22-13-18-10-5-11-26-18)14-21-17-9-4-6-15(12-17)20(25)23-16-7-2-1-3-8-16/h4-6,9-12,16,21H,1-3,7-8,13-14H2,(H,22,24)(H,23,25)
InChIKeyMZKXZPQVCCOHQS-UHFFFAOYSA-N
XLogP3.07
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54831065
3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54837191
2-(cyclohexylcarbamoylamino)-N-(furan-2-ylmethyl)acetamide
CID 47013398
3-[[2-(butylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834417
2-(cyclohexylamino)-N-(furan-2-ylmethyl)acetamide
CID 54816411
3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834815
3-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834747
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831098
3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54841912
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831035
3-[[2-(3-benzamidoanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54839098
3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54834582

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]benzamide?
The IUPAC name of N-cyclohexyl-3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]benzamide (CID 54831186) is N-cyclohexyl-3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]benzamide is O=C(CNc1cccc(C(=O)NC2CCCCC2)c1)NCc1ccco1.
What is the InChIKey of N-cyclohexyl-3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]benzamide?
The InChIKey is MZKXZPQVCCOHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c24-19(22-13-18-10-5-11-26-18)14-21-17-9-4-6-15(12-17)20(25)23-16-7-2-1-3-8-16/h4-6,9-12,16,21H,1-3,7-8,13-14H2,(H,22,24)(H,23,25).
What are the key properties of N-cyclohexyl-3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]benzamide?
N-cyclohexyl-3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]benzamide has a molecular weight of 355.44 g/mol, XLogP of 3.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54831186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).