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

C18H27NO3 — CID 58710946

IUPAC(1-oxo-1-phenylpropan-2-yl) N,N-dibutylcarbamate
SMILESCCCCN(CCCC)C(=O)OC(C)C(=O)c1ccccc1
InChIInChI=1S/C18H27NO3/c1-4-6-13-19(14-7-5-2)18(21)22-15(3)17(20)16-11-9-8-10-12-16/h8-12,15H,4-7,13-14H2,1-3H3
InChIKeyZDGCFNNXWYUINC-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.30
Rot. Bonds9

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

(1-oxo-1-phenylpropan-2-yl) N,N-dibutylcarbamate (PubChem CID 58710946) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is (1-oxo-1-phenylpropan-2-yl) N,N-dibutylcarbamate.

Molecular Properties

Compound Name(1-oxo-1-phenylpropan-2-yl) N,N-dibutylcarbamate
PubChem CID58710946
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name(1-oxo-1-phenylpropan-2-yl) N,N-dibutylcarbamate
SMILESCCCCN(CCCC)C(=O)OC(C)C(=O)c1ccccc1
InChIInChI=1S/C18H27NO3/c1-4-6-13-19(14-7-5-2)18(21)22-15(3)17(20)16-11-9-8-10-12-16/h8-12,15H,4-7,13-14H2,1-3H3
InChIKeyZDGCFNNXWYUINC-UHFFFAOYSA-N
XLogP4.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.30
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-dibutylcarbamate?
The IUPAC name of (1-oxo-1-phenylpropan-2-yl) N,N-dibutylcarbamate (CID 58710946) is (1-oxo-1-phenylpropan-2-yl) N,N-dibutylcarbamate.
What is the SMILES notation for (1-oxo-1-phenylpropan-2-yl) N,N-dibutylcarbamate?
The canonical SMILES for (1-oxo-1-phenylpropan-2-yl) N,N-dibutylcarbamate is CCCCN(CCCC)C(=O)OC(C)C(=O)c1ccccc1.
What is the InChIKey of (1-oxo-1-phenylpropan-2-yl) N,N-dibutylcarbamate?
The InChIKey is ZDGCFNNXWYUINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-4-6-13-19(14-7-5-2)18(21)22-15(3)17(20)16-11-9-8-10-12-16/h8-12,15H,4-7,13-14H2,1-3H3.
What are the key properties of (1-oxo-1-phenylpropan-2-yl) N,N-dibutylcarbamate?
(1-oxo-1-phenylpropan-2-yl) N,N-dibutylcarbamate has a molecular weight of 305.42 g/mol, XLogP of 4.30, 9 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-dibutylcarbamate is sourced from PubChem (CID 58710946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).