N-methoxy-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide

C12H17NO3 — CID 94502622

IUPACN-methoxy-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide
SMILESCONC(=O)CCc1ccc([C@H]2C[C@H]2C)o1
InChIInChI=1S/C12H17NO3/c1-8-7-10(8)11-5-3-9(16-11)4-6-12(14)13-15-2/h3,5,8,10H,4,6-7H2,1-2H3,(H,13,14)/t8-,10+/m1/s1
InChIKeyUXQZWUSTBKOIGL-SCZZXKLOSA-N
MW223.27 g/mol
LogP2.01
Rot. Bonds5

About N-methoxy-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide

N-methoxy-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide (PubChem CID 94502622) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is N-methoxy-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide.

Molecular Properties

Compound NameN-methoxy-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide
PubChem CID94502622
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameN-methoxy-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide
SMILESCONC(=O)CCc1ccc([C@H]2C[C@H]2C)o1
InChIInChI=1S/C12H17NO3/c1-8-7-10(8)11-5-3-9(16-11)4-6-12(14)13-15-2/h3,5,8,10H,4,6-7H2,1-2H3,(H,13,14)/t8-,10+/m1/s1
InChIKeyUXQZWUSTBKOIGL-SCZZXKLOSA-N
XLogP2.01
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide?
The IUPAC name of N-methoxy-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide (CID 94502622) is N-methoxy-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide.
What is the SMILES notation for N-methoxy-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide?
The canonical SMILES for N-methoxy-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide is CONC(=O)CCc1ccc([C@H]2C[C@H]2C)o1.
What is the InChIKey of N-methoxy-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide?
The InChIKey is UXQZWUSTBKOIGL-SCZZXKLOSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8-7-10(8)11-5-3-9(16-11)4-6-12(14)13-15-2/h3,5,8,10H,4,6-7H2,1-2H3,(H,13,14)/t8-,10+/m1/s1.
What are the key properties of N-methoxy-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide?
N-methoxy-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide has a molecular weight of 223.27 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propanamide is sourced from PubChem (CID 94502622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).