(1-oxo-1-phenylpropan-2-yl) N,N-dipropylcarbamate

C16H23NO3 — CID 132574158

IUPAC(1-oxo-1-phenylpropan-2-yl) N,N-dipropylcarbamate
SMILESCCCN(CCC)C(=O)OC(C)C(=O)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-4-11-17(12-5-2)16(19)20-13(3)15(18)14-9-7-6-8-10-14/h6-10,13H,4-5,11-12H2,1-3H3
InChIKeyQIINARHROYSJAZ-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.52
Rot. Bonds7

About (1-oxo-1-phenylpropan-2-yl) N,N-dipropylcarbamate

(1-oxo-1-phenylpropan-2-yl) N,N-dipropylcarbamate (PubChem CID 132574158) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (1-oxo-1-phenylpropan-2-yl) N,N-dipropylcarbamate.

Molecular Properties

Compound Name(1-oxo-1-phenylpropan-2-yl) N,N-dipropylcarbamate
PubChem CID132574158
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(1-oxo-1-phenylpropan-2-yl) N,N-dipropylcarbamate
SMILESCCCN(CCC)C(=O)OC(C)C(=O)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-4-11-17(12-5-2)16(19)20-13(3)15(18)14-9-7-6-8-10-14/h6-10,13H,4-5,11-12H2,1-3H3
InChIKeyQIINARHROYSJAZ-UHFFFAOYSA-N
XLogP3.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-phenylpropan-2-yl) N,N-dipropylcarbamate?
The IUPAC name of (1-oxo-1-phenylpropan-2-yl) N,N-dipropylcarbamate (CID 132574158) is (1-oxo-1-phenylpropan-2-yl) N,N-dipropylcarbamate.
What is the SMILES notation for (1-oxo-1-phenylpropan-2-yl) N,N-dipropylcarbamate?
The canonical SMILES for (1-oxo-1-phenylpropan-2-yl) N,N-dipropylcarbamate is CCCN(CCC)C(=O)OC(C)C(=O)c1ccccc1.
What is the InChIKey of (1-oxo-1-phenylpropan-2-yl) N,N-dipropylcarbamate?
The InChIKey is QIINARHROYSJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-11-17(12-5-2)16(19)20-13(3)15(18)14-9-7-6-8-10-14/h6-10,13H,4-5,11-12H2,1-3H3.
What are the key properties of (1-oxo-1-phenylpropan-2-yl) N,N-dipropylcarbamate?
(1-oxo-1-phenylpropan-2-yl) N,N-dipropylcarbamate has a molecular weight of 277.36 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-phenylpropan-2-yl) N,N-dipropylcarbamate is sourced from PubChem (CID 132574158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).