4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoylamino]butanamide

C15H22N2O3 — CID 56812725

IUPAC4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoylamino]butanamide
SMILESCC1CC1c1ccc(CCC(=O)NCCCC(N)=O)o1
InChIInChI=1S/C15H22N2O3/c1-10-9-12(10)13-6-4-11(20-13)5-7-15(19)17-8-2-3-14(16)18/h4,6,10,12H,2-3,5,7-9H2,1H3,(H2,16,18)(H,17,19)
InChIKeyRXDWANJXIWALDV-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.72
Rot. Bonds8

About 4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoylamino]butanamide

4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoylamino]butanamide (PubChem CID 56812725) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoylamino]butanamide.

Molecular Properties

Compound Name4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoylamino]butanamide
PubChem CID56812725
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoylamino]butanamide
SMILESCC1CC1c1ccc(CCC(=O)NCCCC(N)=O)o1
InChIInChI=1S/C15H22N2O3/c1-10-9-12(10)13-6-4-11(20-13)5-7-15(19)17-8-2-3-14(16)18/h4,6,10,12H,2-3,5,7-9H2,1H3,(H2,16,18)(H,17,19)
InChIKeyRXDWANJXIWALDV-UHFFFAOYSA-N
XLogP1.72
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanamide
CID 94017148
N-(5-hydroxy-4-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 103862369
3-[5-(2-methylcyclopropyl)furan-2-yl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 64546432
N-(2,3-dihydroxy-2-methylpropyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 66168303
methyl 3-[5-(2-methylcyclopropyl)furan-2-yl]propanoate
CID 112723028
N-(2-hydroxy-2-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 103713210
N-butan-2-yl-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 47014175
methyl 4-[[3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]propanoylamino]methyl]benzoate
CID 41237032
N-(4-hydroxy-3-methylbutan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 115771031
3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 94016882
3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 94017153
3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 94473556

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoylamino]butanamide?
The IUPAC name of 4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoylamino]butanamide (CID 56812725) is 4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoylamino]butanamide.
What is the SMILES notation for 4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoylamino]butanamide?
The canonical SMILES for 4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoylamino]butanamide is CC1CC1c1ccc(CCC(=O)NCCCC(N)=O)o1.
What is the InChIKey of 4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoylamino]butanamide?
The InChIKey is RXDWANJXIWALDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-9-12(10)13-6-4-11(20-13)5-7-15(19)17-8-2-3-14(16)18/h4,6,10,12H,2-3,5,7-9H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of 4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoylamino]butanamide?
4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoylamino]butanamide has a molecular weight of 278.35 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoylamino]butanamide is sourced from PubChem (CID 56812725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).