N-(2-cyanoethyl)-5-[(2-cyanophenoxy)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide

C24H21N3O4 — CID 56534140

IUPACN-(2-cyanoethyl)-5-[(2-cyanophenoxy)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
SMILESCCOc1ccc(N(CCC#N)C(=O)c2ccc(COc3ccccc3C#N)o2)cc1
InChIInChI=1S/C24H21N3O4/c1-2-29-20-10-8-19(9-11-20)27(15-5-14-25)24(28)23-13-12-21(31-23)17-30-22-7-4-3-6-18(22)16-26/h3-4,6-13H,2,5,15,17H2,1H3
InChIKeyXCWWPCOFHPYCDG-UHFFFAOYSA-N
MW415.45 g/mol
LogP4.69
Rot. Bonds9

About N-(2-cyanoethyl)-5-[(2-cyanophenoxy)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide

N-(2-cyanoethyl)-5-[(2-cyanophenoxy)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide (PubChem CID 56534140) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-(2-cyanoethyl)-5-[(2-cyanophenoxy)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-5-[(2-cyanophenoxy)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
PubChem CID56534140
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC NameN-(2-cyanoethyl)-5-[(2-cyanophenoxy)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
SMILESCCOc1ccc(N(CCC#N)C(=O)c2ccc(COc3ccccc3C#N)o2)cc1
InChIInChI=1S/C24H21N3O4/c1-2-29-20-10-8-19(9-11-20)27(15-5-14-25)24(28)23-13-12-21(31-23)17-30-22-7-4-3-6-18(22)16-26/h3-4,6-13H,2,5,15,17H2,1H3
InChIKeyXCWWPCOFHPYCDG-UHFFFAOYSA-N
XLogP4.69
TPSA99.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 16535913
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methoxy]benzamide
CID 56572846
5-[(2-cyanophenoxy)methyl]-N-methyl-N-propan-2-ylfuran-2-carboxamide
CID 87024322
5-[(2-cyanophenoxy)methyl]-N-[(3-ethoxyphenyl)methyl]furan-2-carboxamide
CID 55844677
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 31958823
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 56572529
[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] 4-(methoxymethyl)benzoate
CID 30801137
N-(2-cyanoethyl)-N-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 78796865
N-(2-cyanoethyl)-2-ethoxy-N-phenylbenzamide
CID 24694454
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 56534565
5-[(2-cyanophenoxy)methyl]-N-propan-2-yl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 51123765
1-benzyl-N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 56534094

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-5-[(2-cyanophenoxy)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-5-[(2-cyanophenoxy)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide (CID 56534140) is N-(2-cyanoethyl)-5-[(2-cyanophenoxy)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-5-[(2-cyanophenoxy)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-5-[(2-cyanophenoxy)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide is CCOc1ccc(N(CCC#N)C(=O)c2ccc(COc3ccccc3C#N)o2)cc1.
What is the InChIKey of N-(2-cyanoethyl)-5-[(2-cyanophenoxy)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide?
The InChIKey is XCWWPCOFHPYCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-2-29-20-10-8-19(9-11-20)27(15-5-14-25)24(28)23-13-12-21(31-23)17-30-22-7-4-3-6-18(22)16-26/h3-4,6-13H,2,5,15,17H2,1H3.
What are the key properties of N-(2-cyanoethyl)-5-[(2-cyanophenoxy)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide?
N-(2-cyanoethyl)-5-[(2-cyanophenoxy)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 4.69, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-5-[(2-cyanophenoxy)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 56534140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).