2-amino-3-methoxy-N-(3-phenylcyclobutyl)propanamide

C14H20N2O2 — CID 120989012

IUPAC2-amino-3-methoxy-N-(3-phenylcyclobutyl)propanamide
SMILESCOCC(N)C(=O)NC1CC(c2ccccc2)C1
InChIInChI=1S/C14H20N2O2/c1-18-9-13(15)14(17)16-12-7-11(8-12)10-5-3-2-4-6-10/h2-6,11-13H,7-9,15H2,1H3,(H,16,17)
InChIKeyFYKNJHOFOAPKRS-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.02
Rot. Bonds5

About 2-amino-3-methoxy-N-(3-phenylcyclobutyl)propanamide

2-amino-3-methoxy-N-(3-phenylcyclobutyl)propanamide (PubChem CID 120989012) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-(3-phenylcyclobutyl)propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-(3-phenylcyclobutyl)propanamide
PubChem CID120989012
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-amino-3-methoxy-N-(3-phenylcyclobutyl)propanamide
SMILESCOCC(N)C(=O)NC1CC(c2ccccc2)C1
InChIInChI=1S/C14H20N2O2/c1-18-9-13(15)14(17)16-12-7-11(8-12)10-5-3-2-4-6-10/h2-6,11-13H,7-9,15H2,1H3,(H,16,17)
InChIKeyFYKNJHOFOAPKRS-UHFFFAOYSA-N
XLogP1.02
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-(3-phenylcyclobutyl)propanamide?
The IUPAC name of 2-amino-3-methoxy-N-(3-phenylcyclobutyl)propanamide (CID 120989012) is 2-amino-3-methoxy-N-(3-phenylcyclobutyl)propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-(3-phenylcyclobutyl)propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-(3-phenylcyclobutyl)propanamide is COCC(N)C(=O)NC1CC(c2ccccc2)C1.
What is the InChIKey of 2-amino-3-methoxy-N-(3-phenylcyclobutyl)propanamide?
The InChIKey is FYKNJHOFOAPKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-9-13(15)14(17)16-12-7-11(8-12)10-5-3-2-4-6-10/h2-6,11-13H,7-9,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-3-methoxy-N-(3-phenylcyclobutyl)propanamide?
2-amino-3-methoxy-N-(3-phenylcyclobutyl)propanamide has a molecular weight of 248.33 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-(3-phenylcyclobutyl)propanamide is sourced from PubChem (CID 120989012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).