N-(2-amino-2-oxoethyl)-5-[(4-cyanophenoxy)methyl]-N-(2-cyclohexylethyl)furan-2-carboxamide

C23H27N3O4 — CID 86886752

IUPACN-(2-amino-2-oxoethyl)-5-[(4-cyanophenoxy)methyl]-N-(2-cyclohexylethyl)furan-2-carboxamide
SMILESN#Cc1ccc(OCc2ccc(C(=O)N(CCC3CCCCC3)CC(N)=O)o2)cc1
InChIInChI=1S/C23H27N3O4/c24-14-18-6-8-19(9-7-18)29-16-20-10-11-21(30-20)23(28)26(15-22(25)27)13-12-17-4-2-1-3-5-17/h6-11,17H,1-5,12-13,15-16H2,(H2,25,27)
InChIKeyJCGZTWGNSRWFSE-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.63
Rot. Bonds9

About N-(2-amino-2-oxoethyl)-5-[(4-cyanophenoxy)methyl]-N-(2-cyclohexylethyl)furan-2-carboxamide

N-(2-amino-2-oxoethyl)-5-[(4-cyanophenoxy)methyl]-N-(2-cyclohexylethyl)furan-2-carboxamide (PubChem CID 86886752) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-5-[(4-cyanophenoxy)methyl]-N-(2-cyclohexylethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-5-[(4-cyanophenoxy)methyl]-N-(2-cyclohexylethyl)furan-2-carboxamide
PubChem CID86886752
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC NameN-(2-amino-2-oxoethyl)-5-[(4-cyanophenoxy)methyl]-N-(2-cyclohexylethyl)furan-2-carboxamide
SMILESN#Cc1ccc(OCc2ccc(C(=O)N(CCC3CCCCC3)CC(N)=O)o2)cc1
InChIInChI=1S/C23H27N3O4/c24-14-18-6-8-19(9-7-18)29-16-20-10-11-21(30-20)23(28)26(15-22(25)27)13-12-17-4-2-1-3-5-17/h6-11,17H,1-5,12-13,15-16H2,(H2,25,27)
InChIKeyJCGZTWGNSRWFSE-UHFFFAOYSA-N
XLogP3.63
TPSA109.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-5-[(4-cyanophenoxy)methyl]-N-(2-cyclohexylethyl)furan-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-5-[(4-cyanophenoxy)methyl]-N-(2-cyclohexylethyl)furan-2-carboxamide (CID 86886752) is N-(2-amino-2-oxoethyl)-5-[(4-cyanophenoxy)methyl]-N-(2-cyclohexylethyl)furan-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-5-[(4-cyanophenoxy)methyl]-N-(2-cyclohexylethyl)furan-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-5-[(4-cyanophenoxy)methyl]-N-(2-cyclohexylethyl)furan-2-carboxamide is N#Cc1ccc(OCc2ccc(C(=O)N(CCC3CCCCC3)CC(N)=O)o2)cc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-5-[(4-cyanophenoxy)methyl]-N-(2-cyclohexylethyl)furan-2-carboxamide?
The InChIKey is JCGZTWGNSRWFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c24-14-18-6-8-19(9-7-18)29-16-20-10-11-21(30-20)23(28)26(15-22(25)27)13-12-17-4-2-1-3-5-17/h6-11,17H,1-5,12-13,15-16H2,(H2,25,27).
What are the key properties of N-(2-amino-2-oxoethyl)-5-[(4-cyanophenoxy)methyl]-N-(2-cyclohexylethyl)furan-2-carboxamide?
N-(2-amino-2-oxoethyl)-5-[(4-cyanophenoxy)methyl]-N-(2-cyclohexylethyl)furan-2-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-5-[(4-cyanophenoxy)methyl]-N-(2-cyclohexylethyl)furan-2-carboxamide is sourced from PubChem (CID 86886752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).