3-acetamido-N-[1-(3-methoxyphenyl)cyclopropyl]propanamide

C15H20N2O3 — CID 75379636

IUPAC3-acetamido-N-[1-(3-methoxyphenyl)cyclopropyl]propanamide
SMILESCOc1cccc(C2(NC(=O)CCNC(C)=O)CC2)c1
InChIInChI=1S/C15H20N2O3/c1-11(18)16-9-6-14(19)17-15(7-8-15)12-4-3-5-13(10-12)20-2/h3-5,10H,6-9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyZAFRYXIHIJGRDY-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.33
Rot. Bonds6

About 3-acetamido-N-[1-(3-methoxyphenyl)cyclopropyl]propanamide

3-acetamido-N-[1-(3-methoxyphenyl)cyclopropyl]propanamide (PubChem CID 75379636) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-acetamido-N-[1-(3-methoxyphenyl)cyclopropyl]propanamide.

Molecular Properties

Compound Name3-acetamido-N-[1-(3-methoxyphenyl)cyclopropyl]propanamide
PubChem CID75379636
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-acetamido-N-[1-(3-methoxyphenyl)cyclopropyl]propanamide
SMILESCOc1cccc(C2(NC(=O)CCNC(C)=O)CC2)c1
InChIInChI=1S/C15H20N2O3/c1-11(18)16-9-6-14(19)17-15(7-8-15)12-4-3-5-13(10-12)20-2/h3-5,10H,6-9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyZAFRYXIHIJGRDY-UHFFFAOYSA-N
XLogP1.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[1-(3-methoxyphenyl)cyclopropyl]propanamide?
The IUPAC name of 3-acetamido-N-[1-(3-methoxyphenyl)cyclopropyl]propanamide (CID 75379636) is 3-acetamido-N-[1-(3-methoxyphenyl)cyclopropyl]propanamide.
What is the SMILES notation for 3-acetamido-N-[1-(3-methoxyphenyl)cyclopropyl]propanamide?
The canonical SMILES for 3-acetamido-N-[1-(3-methoxyphenyl)cyclopropyl]propanamide is COc1cccc(C2(NC(=O)CCNC(C)=O)CC2)c1.
What is the InChIKey of 3-acetamido-N-[1-(3-methoxyphenyl)cyclopropyl]propanamide?
The InChIKey is ZAFRYXIHIJGRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(18)16-9-6-14(19)17-15(7-8-15)12-4-3-5-13(10-12)20-2/h3-5,10H,6-9H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 3-acetamido-N-[1-(3-methoxyphenyl)cyclopropyl]propanamide?
3-acetamido-N-[1-(3-methoxyphenyl)cyclopropyl]propanamide has a molecular weight of 276.34 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[1-(3-methoxyphenyl)cyclopropyl]propanamide is sourced from PubChem (CID 75379636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).