[1-(4-methylphenyl)-1-oxopropan-2-yl] N,N-dibutylcarbamate

C19H29NO3 — CID 164679586

IUPAC[1-(4-methylphenyl)-1-oxopropan-2-yl] N,N-dibutylcarbamate
SMILESCCCCN(CCCC)C(=O)OC(C)C(=O)c1ccc(C)cc1
InChIInChI=1S/C19H29NO3/c1-5-7-13-20(14-8-6-2)19(22)23-16(4)18(21)17-11-9-15(3)10-12-17/h9-12,16H,5-8,13-14H2,1-4H3
InChIKeyPUAHVGKXNCOWEX-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.61
Rot. Bonds9

About [1-(4-methylphenyl)-1-oxopropan-2-yl] N,N-dibutylcarbamate

[1-(4-methylphenyl)-1-oxopropan-2-yl] N,N-dibutylcarbamate (PubChem CID 164679586) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is [1-(4-methylphenyl)-1-oxopropan-2-yl] N,N-dibutylcarbamate.

Molecular Properties

Compound Name[1-(4-methylphenyl)-1-oxopropan-2-yl] N,N-dibutylcarbamate
PubChem CID164679586
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Name[1-(4-methylphenyl)-1-oxopropan-2-yl] N,N-dibutylcarbamate
SMILESCCCCN(CCCC)C(=O)OC(C)C(=O)c1ccc(C)cc1
InChIInChI=1S/C19H29NO3/c1-5-7-13-20(14-8-6-2)19(22)23-16(4)18(21)17-11-9-15(3)10-12-17/h9-12,16H,5-8,13-14H2,1-4H3
InChIKeyPUAHVGKXNCOWEX-UHFFFAOYSA-N
XLogP4.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[4-(2-Acetamidoethyl)phenyl]-2-oxoethyl] cyclohexanecarboxylate
CID 9502218
(1,1-difluoro-3-oxo-3-phenylprop-1-en-2-yl) N,N-diethylcarbamate
CID 10956981
[2-[4-(difluoromethyl)phenyl]-2-oxoethyl] N,N-diethylcarbamate
CID 138963596
[1-oxo-1-[4-(trifluoromethyl)phenyl]propan-2-yl] N,N-dibutylcarbamate
CID 164679587
tert-butyl (3S,4S)-3-[1-(4-acetylphenyl)ethenyl]-4-hydroxypyrrolidine-1-carboxylate
CID 101848163
(1-oxo-1-phenylpropan-2-yl) N,N-dibutylcarbamate
CID 58710946
tert-butyl(2R)-2-benzoylmorpholine-4-carboxylate
CID 68598384
phenacyl N,N-diethylcarbamate
CID 138964297
[2-(4-methylphenyl)-2-oxoethyl] N,N-diethylcarbamate
CID 138964366
(1-Oxo-1-phenylpropan-2-yl) pyrrolidine-1-carboxylate
CID 163613761
1-Butanone,1-[2-[2-[bis(1-methylethyl)amino]ethoxy]phenyl]-
CID 26734
Tert-butyl 2-(4-fluorobenzoyl)morpholine-4-carboxylate
CID 17979164

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)-1-oxopropan-2-yl] N,N-dibutylcarbamate?
The IUPAC name of [1-(4-methylphenyl)-1-oxopropan-2-yl] N,N-dibutylcarbamate (CID 164679586) is [1-(4-methylphenyl)-1-oxopropan-2-yl] N,N-dibutylcarbamate.
What is the SMILES notation for [1-(4-methylphenyl)-1-oxopropan-2-yl] N,N-dibutylcarbamate?
The canonical SMILES for [1-(4-methylphenyl)-1-oxopropan-2-yl] N,N-dibutylcarbamate is CCCCN(CCCC)C(=O)OC(C)C(=O)c1ccc(C)cc1.
What is the InChIKey of [1-(4-methylphenyl)-1-oxopropan-2-yl] N,N-dibutylcarbamate?
The InChIKey is PUAHVGKXNCOWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-5-7-13-20(14-8-6-2)19(22)23-16(4)18(21)17-11-9-15(3)10-12-17/h9-12,16H,5-8,13-14H2,1-4H3.
What are the key properties of [1-(4-methylphenyl)-1-oxopropan-2-yl] N,N-dibutylcarbamate?
[1-(4-methylphenyl)-1-oxopropan-2-yl] N,N-dibutylcarbamate has a molecular weight of 319.45 g/mol, XLogP of 4.61, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)-1-oxopropan-2-yl] N,N-dibutylcarbamate is sourced from PubChem (CID 164679586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).