N-[[3-(butanoylamino)phenyl]methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide

C24H23N3O4 — CID 55843556

IUPACN-[[3-(butanoylamino)phenyl]methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
SMILESCCCC(=O)Nc1cccc(CNC(=O)c2ccc(COc3ccccc3C#N)o2)c1
InChIInChI=1S/C24H23N3O4/c1-2-6-23(28)27-19-9-5-7-17(13-19)15-26-24(29)22-12-11-20(31-22)16-30-21-10-4-3-8-18(21)14-25/h3-5,7-13H,2,6,15-16H2,1H3,(H,26,29)(H,27,28)
InChIKeyHVHBBFOQYLWLAR-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.40
Rot. Bonds9

About N-[[3-(butanoylamino)phenyl]methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide

N-[[3-(butanoylamino)phenyl]methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide (PubChem CID 55843556) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[[3-(butanoylamino)phenyl]methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(butanoylamino)phenyl]methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
PubChem CID55843556
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC NameN-[[3-(butanoylamino)phenyl]methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
SMILESCCCC(=O)Nc1cccc(CNC(=O)c2ccc(COc3ccccc3C#N)o2)c1
InChIInChI=1S/C24H23N3O4/c1-2-6-23(28)27-19-9-5-7-17(13-19)15-26-24(29)22-12-11-20(31-22)16-30-21-10-4-3-8-18(21)14-25/h3-5,7-13H,2,6,15-16H2,1H3,(H,26,29)(H,27,28)
InChIKeyHVHBBFOQYLWLAR-UHFFFAOYSA-N
XLogP4.40
TPSA104.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[3-(butanoylamino)phenyl]methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide with MolForge

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Related Compounds

5-[(2-cyanophenoxy)methyl]-N-[(3-ethoxyphenyl)methyl]furan-2-carboxamide
CID 55844677
5-[(2-cyanophenoxy)methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 51085773
5-[(2-cyanophenoxy)methyl]-N-[3-(cyclopropylmethoxymethyl)phenyl]furan-2-carboxamide
CID 48585316
N-[2-(3-chlorophenyl)ethyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
CID 55825170
N-[[4-(butanoylamino)phenyl]methyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78887130
N-(4-chloro-2-methylphenyl)-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
CID 55884416
5-[(2-cyanophenoxy)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)furan-2-carboxamide
CID 47051140
N-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 55782491
5-[(3-bromophenoxy)methyl]-N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]furan-2-carboxamide
CID 55775124
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide
CID 55826911
5-[(2-cyanophenoxy)methyl]-N-(6-methoxy-3-pyridinyl)furan-2-carboxamide
CID 47051131
5-[(2-cyanophenoxy)methyl]-N-[(2R)-2-cyclopentyl-2-hydroxypropyl]furan-2-carboxamide
CID 95783263

Frequently Asked Questions

What is the IUPAC name of N-[[3-(butanoylamino)phenyl]methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[[3-(butanoylamino)phenyl]methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide (CID 55843556) is N-[[3-(butanoylamino)phenyl]methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[3-(butanoylamino)phenyl]methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[[3-(butanoylamino)phenyl]methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide is CCCC(=O)Nc1cccc(CNC(=O)c2ccc(COc3ccccc3C#N)o2)c1.
What is the InChIKey of N-[[3-(butanoylamino)phenyl]methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide?
The InChIKey is HVHBBFOQYLWLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-2-6-23(28)27-19-9-5-7-17(13-19)15-26-24(29)22-12-11-20(31-22)16-30-21-10-4-3-8-18(21)14-25/h3-5,7-13H,2,6,15-16H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-[[3-(butanoylamino)phenyl]methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide?
N-[[3-(butanoylamino)phenyl]methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 4.40, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(butanoylamino)phenyl]methyl]-5-[(2-cyanophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 55843556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).