5-[(2-cyanophenoxy)methyl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]furan-2-carboxamide

C23H20N4O4 — CID 55823378

IUPAC5-[(2-cyanophenoxy)methyl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]furan-2-carboxamide
SMILESC=CCNC(=O)Nc1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1
InChIInChI=1S/C23H20N4O4/c1-2-13-25-23(29)27-18-9-7-17(8-10-18)26-22(28)21-12-11-19(31-21)15-30-20-6-4-3-5-16(20)14-24/h2-12H,1,13,15H2,(H,26,28)(H2,25,27,29)
InChIKeyAMURTFUSWFKDIC-UHFFFAOYSA-N
MW416.44 g/mol
LogP4.29
Rot. Bonds8

About 5-[(2-cyanophenoxy)methyl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]furan-2-carboxamide

5-[(2-cyanophenoxy)methyl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]furan-2-carboxamide (PubChem CID 55823378) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is 5-[(2-cyanophenoxy)methyl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-cyanophenoxy)methyl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]furan-2-carboxamide
PubChem CID55823378
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Name5-[(2-cyanophenoxy)methyl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]furan-2-carboxamide
SMILESC=CCNC(=O)Nc1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1
InChIInChI=1S/C23H20N4O4/c1-2-13-25-23(29)27-18-9-7-17(8-10-18)26-22(28)21-12-11-19(31-21)15-30-20-6-4-3-5-16(20)14-24/h2-12H,1,13,15H2,(H,26,28)(H2,25,27,29)
InChIKeyAMURTFUSWFKDIC-UHFFFAOYSA-N
XLogP4.29
TPSA116.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[(2-cyanophenoxy)methyl]-N-(6-methoxy-3-pyridinyl)furan-2-carboxamide
CID 47051131
5-[(2-cyanophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide
CID 47051140
N-(4-nitrophenyl)-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19448726
N-phenyl-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19448799
N-(2-anilino-2-oxo-1-phenylethyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
CID 55872708
5-[(2-cyanophenoxy)methyl]-N-[3-(cyclopropylmethoxymethyl)phenyl]furan-2-carboxamide
CID 48585316
5-[(2-cyanophenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 51085773
N-(4-chloro-2-methylphenyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
CID 55884416
5-(naphthalen-1-yloxymethyl)-N-(4-phenylphenyl)furan-2-carboxamide
CID 19412894
5-[(2-cyanophenoxy)methyl]-N-(4-hydroxycyclohexyl)furan-2-carboxamide
CID 56814629
N-(4-acetamidophenyl)-5-[(2-bromophenoxy)methyl]furan-2-carboxamide
CID 1002606
N-[2-(3-chlorophenyl)ethyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
CID 55825170

Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyanophenoxy)methyl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]furan-2-carboxamide?
The IUPAC name of 5-[(2-cyanophenoxy)methyl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]furan-2-carboxamide (CID 55823378) is 5-[(2-cyanophenoxy)methyl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2-cyanophenoxy)methyl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-[(2-cyanophenoxy)methyl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]furan-2-carboxamide is C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)cc1.
What is the InChIKey of 5-[(2-cyanophenoxy)methyl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]furan-2-carboxamide?
The InChIKey is AMURTFUSWFKDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-2-13-25-23(29)27-18-9-7-17(8-10-18)26-22(28)21-12-11-19(31-21)15-30-20-6-4-3-5-16(20)14-24/h2-12H,1,13,15H2,(H,26,28)(H2,25,27,29).
What are the key properties of 5-[(2-cyanophenoxy)methyl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]furan-2-carboxamide?
5-[(2-cyanophenoxy)methyl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]furan-2-carboxamide has a molecular weight of 416.44 g/mol, XLogP of 4.29, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyanophenoxy)methyl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]furan-2-carboxamide is sourced from PubChem (CID 55823378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).