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

C17H17NO3 — CID 169332228

IUPACN-cyclopropyl-3-[4-(5-formylfuran-2-yl)phenyl]propanamide
SMILESO=Cc1ccc(-c2ccc(CCC(=O)NC3CC3)cc2)o1
InChIInChI=1S/C17H17NO3/c19-11-15-8-9-16(21-15)13-4-1-12(2-5-13)3-10-17(20)18-14-6-7-14/h1-2,4-5,8-9,11,14H,3,6-7,10H2,(H,18,20)
InChIKeyRECSFOYNFPOSHO-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.97
Rot. Bonds6

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

N-cyclopropyl-3-[4-(5-formylfuran-2-yl)phenyl]propanamide (PubChem CID 169332228) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-(5-formylfuran-2-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-(5-formylfuran-2-yl)phenyl]propanamide
PubChem CID169332228
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-cyclopropyl-3-[4-(5-formylfuran-2-yl)phenyl]propanamide
SMILESO=Cc1ccc(-c2ccc(CCC(=O)NC3CC3)cc2)o1
InChIInChI=1S/C17H17NO3/c19-11-15-8-9-16(21-15)13-4-1-12(2-5-13)3-10-17(20)18-14-6-7-14/h1-2,4-5,8-9,11,14H,3,6-7,10H2,(H,18,20)
InChIKeyRECSFOYNFPOSHO-UHFFFAOYSA-N
XLogP2.97
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.97
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-cyclohexyl-2-[4-(5-formylfuran-2-yl)phenyl]acetamide
CID 169333438
tert-butyl 4-[[[4-(5-formylfuran-2-yl)phenyl]methylamino]methyl]piperidine-1-carboxylate
CID 169333578
3-(4-fluorophenyl)-N-(4-hydroxycyclohexyl)propanamide
CID 43392085
N-cyclopropyl-3-(4-morpholin-4-ylphenyl)propanamide
CID 110647271
3-(4-bromophenyl)-N-(oxan-4-yl)propanamide
CID 175666639
3-(4-aminophenyl)-N-(oxetan-3-yl)propanamide
CID 115341599
N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 78786023
N-(4-chlorocyclohexyl)-3-(4-methoxyphenyl)propanamide
CID 114297242
5-(4-formylphenyl)furan-2-carbaldehyde
CID 7183276
N-cyclopropyl-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 17419085
N-cyclopentyl-3-(4-propan-2-ylphenyl)propanamide
CID 19221387
N-[4-(bromomethyl)cyclohexyl]-3-phenylpropanamide
CID 112752998

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-(5-formylfuran-2-yl)phenyl]propanamide?
The IUPAC name of N-cyclopropyl-3-[4-(5-formylfuran-2-yl)phenyl]propanamide (CID 169332228) is N-cyclopropyl-3-[4-(5-formylfuran-2-yl)phenyl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[4-(5-formylfuran-2-yl)phenyl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[4-(5-formylfuran-2-yl)phenyl]propanamide is O=Cc1ccc(-c2ccc(CCC(=O)NC3CC3)cc2)o1.
What is the InChIKey of N-cyclopropyl-3-[4-(5-formylfuran-2-yl)phenyl]propanamide?
The InChIKey is RECSFOYNFPOSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-11-15-8-9-16(21-15)13-4-1-12(2-5-13)3-10-17(20)18-14-6-7-14/h1-2,4-5,8-9,11,14H,3,6-7,10H2,(H,18,20).
What are the key properties of N-cyclopropyl-3-[4-(5-formylfuran-2-yl)phenyl]propanamide?
N-cyclopropyl-3-[4-(5-formylfuran-2-yl)phenyl]propanamide has a molecular weight of 283.33 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[4-(5-formylfuran-2-yl)phenyl]propanamide is sourced from PubChem (CID 169332228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).