N-(1-phenylpropyl)-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide

C24H25NO3 — CID 19448810

IUPACN-(1-phenylpropyl)-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
SMILESC=CCc1ccccc1OCc1ccc(C(=O)NC(CC)c2ccccc2)o1
InChIInChI=1S/C24H25NO3/c1-3-10-19-13-8-9-14-22(19)27-17-20-15-16-23(28-20)24(26)25-21(4-2)18-11-6-5-7-12-18/h3,5-9,11-16,21H,1,4,10,17H2,2H3,(H,25,26)
InChIKeyPDSHMOVFLGIANE-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.47
Rot. Bonds9

About N-(1-phenylpropyl)-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide

N-(1-phenylpropyl)-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19448810) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-(1-phenylpropyl)-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(1-phenylpropyl)-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
PubChem CID19448810
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC NameN-(1-phenylpropyl)-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
SMILESC=CCc1ccccc1OCc1ccc(C(=O)NC(CC)c2ccccc2)o1
InChIInChI=1S/C24H25NO3/c1-3-10-19-13-8-9-14-22(19)27-17-20-15-16-23(28-20)24(26)25-21(4-2)18-11-6-5-7-12-18/h3,5-9,11-16,21H,1,4,10,17H2,2H3,(H,25,26)
InChIKeyPDSHMOVFLGIANE-UHFFFAOYSA-N
XLogP5.47
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.47
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-phenyl-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19448799
N-(cyclopropylmethyl)-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 95756196
N-(3-methoxyphenyl)-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19448770
N-[(2-methylpyrazol-3-yl)methyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19292580
1-methyl-4-[[5-[(2-prop-2-enylphenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxylic acid
CID 19406103
N-(4-nitrophenyl)-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19448726
N-[1-(4-butan-2-ylphenyl)propyl]-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19446361
N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19294282
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(1-phenylpropyl)furan-2-carboxamide
CID 19458901
5-[(2-prop-2-enylphenoxy)methyl]-N-[(4-sulfamoylphenyl)methyl]furan-2-carboxamide
CID 35336566
N-[(1-methylpyrazol-4-yl)methyl]-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19292377
N-(1-benzylpyrazol-3-yl)-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19286216

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpropyl)-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(1-phenylpropyl)-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide (CID 19448810) is N-(1-phenylpropyl)-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(1-phenylpropyl)-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(1-phenylpropyl)-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide is C=CCc1ccccc1OCc1ccc(C(=O)NC(CC)c2ccccc2)o1.
What is the InChIKey of N-(1-phenylpropyl)-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is PDSHMOVFLGIANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c1-3-10-19-13-8-9-14-22(19)27-17-20-15-16-23(28-20)24(26)25-21(4-2)18-11-6-5-7-12-18/h3,5-9,11-16,21H,1,4,10,17H2,2H3,(H,25,26).
What are the key properties of N-(1-phenylpropyl)-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide?
N-(1-phenylpropyl)-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 5.47, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpropyl)-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19448810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).