N-phenyl-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide

C21H19NO3 — CID 19448799

IUPACN-phenyl-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
SMILESC=CCc1ccccc1OCc1ccc(C(=O)Nc2ccccc2)o1
InChIInChI=1S/C21H19NO3/c1-2-8-16-9-6-7-12-19(16)24-15-18-13-14-20(25-18)21(23)22-17-10-4-3-5-11-17/h2-7,9-14H,1,8,15H2,(H,22,23)
InChIKeyHFZJMQXYPULDJL-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.84
Rot. Bonds7

About N-phenyl-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide

N-phenyl-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19448799) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-phenyl-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-phenyl-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
PubChem CID19448799
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC NameN-phenyl-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
SMILESC=CCc1ccccc1OCc1ccc(C(=O)Nc2ccccc2)o1
InChIInChI=1S/C21H19NO3/c1-2-8-16-9-6-7-12-19(16)24-15-18-13-14-20(25-18)21(23)22-17-10-4-3-5-11-17/h2-7,9-14H,1,8,15H2,(H,22,23)
InChIKeyHFZJMQXYPULDJL-UHFFFAOYSA-N
XLogP4.84
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxyphenyl)-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19448770
N-(4-nitrophenyl)-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19448726
N-(cyclopropylmethyl)-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 95756196
N-(1-benzylpyrazol-3-yl)-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19286216
1-methyl-4-[[5-[(2-prop-2-enylphenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxylic acid
CID 19406103
N-(1-phenylpropyl)-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19448810
5-[(2-prop-2-enylphenoxy)methyl]-N-[(4-sulfamoylphenyl)methyl]furan-2-carboxamide
CID 35336566
N-[(2-methylpyrazol-3-yl)methyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19292580
5-[(2-prop-2-enylphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19346856
N-(4-ethoxy-2-nitrophenyl)-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19448807
N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19405273
N-[(1-methylpyrazol-4-yl)methyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19292377

Frequently Asked Questions

What is the IUPAC name of N-phenyl-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-phenyl-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide (CID 19448799) is N-phenyl-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-phenyl-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-phenyl-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide is C=CCc1ccccc1OCc1ccc(C(=O)Nc2ccccc2)o1.
What is the InChIKey of N-phenyl-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is HFZJMQXYPULDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-2-8-16-9-6-7-12-19(16)24-15-18-13-14-20(25-18)21(23)22-17-10-4-3-5-11-17/h2-7,9-14H,1,8,15H2,(H,22,23).
What are the key properties of N-phenyl-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide?
N-phenyl-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19448799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).