3-amino-4-cyclobutyl-2-[(4-methylphenyl)methoxy]butanamide

C16H24N2O2 — CID 85469875

IUPAC3-amino-4-cyclobutyl-2-[(4-methylphenyl)methoxy]butanamide
SMILESCc1ccc(COC(C(N)=O)C(N)CC2CCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-11-5-7-13(8-6-11)10-20-15(16(18)19)14(17)9-12-3-2-4-12/h5-8,12,14-15H,2-4,9-10,17H2,1H3,(H2,18,19)
InChIKeyOOZNPCMODCPFSX-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.88
Rot. Bonds7

About 3-amino-4-cyclobutyl-2-[(4-methylphenyl)methoxy]butanamide

3-amino-4-cyclobutyl-2-[(4-methylphenyl)methoxy]butanamide (PubChem CID 85469875) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-amino-4-cyclobutyl-2-[(4-methylphenyl)methoxy]butanamide.

Molecular Properties

Compound Name3-amino-4-cyclobutyl-2-[(4-methylphenyl)methoxy]butanamide
PubChem CID85469875
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-amino-4-cyclobutyl-2-[(4-methylphenyl)methoxy]butanamide
SMILESCc1ccc(COC(C(N)=O)C(N)CC2CCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-11-5-7-13(8-6-11)10-20-15(16(18)19)14(17)9-12-3-2-4-12/h5-8,12,14-15H,2-4,9-10,17H2,1H3,(H2,18,19)
InChIKeyOOZNPCMODCPFSX-UHFFFAOYSA-N
XLogP1.88
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclobutyl-2-[(4-methylphenyl)methoxy]butanamide?
The IUPAC name of 3-amino-4-cyclobutyl-2-[(4-methylphenyl)methoxy]butanamide (CID 85469875) is 3-amino-4-cyclobutyl-2-[(4-methylphenyl)methoxy]butanamide.
What is the SMILES notation for 3-amino-4-cyclobutyl-2-[(4-methylphenyl)methoxy]butanamide?
The canonical SMILES for 3-amino-4-cyclobutyl-2-[(4-methylphenyl)methoxy]butanamide is Cc1ccc(COC(C(N)=O)C(N)CC2CCC2)cc1.
What is the InChIKey of 3-amino-4-cyclobutyl-2-[(4-methylphenyl)methoxy]butanamide?
The InChIKey is OOZNPCMODCPFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-5-7-13(8-6-11)10-20-15(16(18)19)14(17)9-12-3-2-4-12/h5-8,12,14-15H,2-4,9-10,17H2,1H3,(H2,18,19).
What are the key properties of 3-amino-4-cyclobutyl-2-[(4-methylphenyl)methoxy]butanamide?
3-amino-4-cyclobutyl-2-[(4-methylphenyl)methoxy]butanamide has a molecular weight of 276.38 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclobutyl-2-[(4-methylphenyl)methoxy]butanamide is sourced from PubChem (CID 85469875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).