N-[4-(5-formylfuran-2-yl)-3-methylphenyl]propanamide

C15H15NO3 — CID 169332595

IUPACN-[4-(5-formylfuran-2-yl)-3-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2ccc(C=O)o2)c(C)c1
InChIInChI=1S/C15H15NO3/c1-3-15(18)16-11-4-6-13(10(2)8-11)14-7-5-12(9-17)19-14/h4-9H,3H2,1-2H3,(H,16,18)
InChIKeyIKOPHXMIQPGDOD-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.42
Rot. Bonds4

About N-[4-(5-formylfuran-2-yl)-3-methylphenyl]propanamide

N-[4-(5-formylfuran-2-yl)-3-methylphenyl]propanamide (PubChem CID 169332595) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[4-(5-formylfuran-2-yl)-3-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[4-(5-formylfuran-2-yl)-3-methylphenyl]propanamide
PubChem CID169332595
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC NameN-[4-(5-formylfuran-2-yl)-3-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2ccc(C=O)o2)c(C)c1
InChIInChI=1S/C15H15NO3/c1-3-15(18)16-11-4-6-13(10(2)8-11)14-7-5-12(9-17)19-14/h4-9H,3H2,1-2H3,(H,16,18)
InChIKeyIKOPHXMIQPGDOD-UHFFFAOYSA-N
XLogP3.42
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-methyl-4-[2-methyl-4-(propanoylamino)phenyl]phenyl]propanamide
CID 4316551
2-(dimethylamino)-N-[3-(5-formylfuran-2-yl)-4-methylphenyl]acetamide
CID 169332176
4-(5-formylfuran-2-yl)-3-methylbenzenesulfonate
CID 50874017
5-(2,4,5-trimethylphenyl)furan-2-carbaldehyde
CID 106886507
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide
CID 25239380
N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]-4-methylpentanamide
CID 28665965
N-(3,4-dimethylphenyl)-3-(5-formylfuran-2-yl)benzamide
CID 169332496
5-(4-methylnaphthalen-1-yl)furan-2-carbaldehyde
CID 106888456
5-[4-(hexanoylcarbamothioylamino)-2-methylphenyl]furan-2-carboxylic acid
CID 91687880
2-(4-ethylphenoxy)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide
CID 28675840
(E)-N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 17317204
5-[2-methoxy-5-(propanoylamino)phenyl]furan-2-carboxylic acid
CID 91688019

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-formylfuran-2-yl)-3-methylphenyl]propanamide?
The IUPAC name of N-[4-(5-formylfuran-2-yl)-3-methylphenyl]propanamide (CID 169332595) is N-[4-(5-formylfuran-2-yl)-3-methylphenyl]propanamide.
What is the SMILES notation for N-[4-(5-formylfuran-2-yl)-3-methylphenyl]propanamide?
The canonical SMILES for N-[4-(5-formylfuran-2-yl)-3-methylphenyl]propanamide is CCC(=O)Nc1ccc(-c2ccc(C=O)o2)c(C)c1.
What is the InChIKey of N-[4-(5-formylfuran-2-yl)-3-methylphenyl]propanamide?
The InChIKey is IKOPHXMIQPGDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-3-15(18)16-11-4-6-13(10(2)8-11)14-7-5-12(9-17)19-14/h4-9H,3H2,1-2H3,(H,16,18).
What are the key properties of N-[4-(5-formylfuran-2-yl)-3-methylphenyl]propanamide?
N-[4-(5-formylfuran-2-yl)-3-methylphenyl]propanamide has a molecular weight of 257.29 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-formylfuran-2-yl)-3-methylphenyl]propanamide is sourced from PubChem (CID 169332595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).