[3-[acetyl(methyl)amino]-1-phenylpropyl] acetate

C14H19NO3 — CID 527097

IUPAC[3-[acetyl(methyl)amino]-1-phenylpropyl] acetate
SMILESCC(=O)OC(CCN(C)C(C)=O)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-11(16)15(3)10-9-14(18-12(2)17)13-7-5-4-6-8-13/h4-8,14H,9-10H2,1-3H3
InChIKeyQRRGVEBZOSRDKR-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.16
Rot. Bonds5

About [3-[acetyl(methyl)amino]-1-phenylpropyl] acetate

[3-[acetyl(methyl)amino]-1-phenylpropyl] acetate (PubChem CID 527097) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is [3-[acetyl(methyl)amino]-1-phenylpropyl] acetate.

Molecular Properties

Compound Name[3-[acetyl(methyl)amino]-1-phenylpropyl] acetate
PubChem CID527097
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name[3-[acetyl(methyl)amino]-1-phenylpropyl] acetate
SMILESCC(=O)OC(CCN(C)C(C)=O)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-11(16)15(3)10-9-14(18-12(2)17)13-7-5-4-6-8-13/h4-8,14H,9-10H2,1-3H3
InChIKeyQRRGVEBZOSRDKR-UHFFFAOYSA-N
XLogP2.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[acetyl(methyl)amino]-1-phenylpropyl] acetate?
The IUPAC name of [3-[acetyl(methyl)amino]-1-phenylpropyl] acetate (CID 527097) is [3-[acetyl(methyl)amino]-1-phenylpropyl] acetate.
What is the SMILES notation for [3-[acetyl(methyl)amino]-1-phenylpropyl] acetate?
The canonical SMILES for [3-[acetyl(methyl)amino]-1-phenylpropyl] acetate is CC(=O)OC(CCN(C)C(C)=O)c1ccccc1.
What is the InChIKey of [3-[acetyl(methyl)amino]-1-phenylpropyl] acetate?
The InChIKey is QRRGVEBZOSRDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11(16)15(3)10-9-14(18-12(2)17)13-7-5-4-6-8-13/h4-8,14H,9-10H2,1-3H3.
What are the key properties of [3-[acetyl(methyl)amino]-1-phenylpropyl] acetate?
[3-[acetyl(methyl)amino]-1-phenylpropyl] acetate has a molecular weight of 249.31 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[acetyl(methyl)amino]-1-phenylpropyl] acetate is sourced from PubChem (CID 527097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).