[3-(dimethylamino)-3-phenylpropyl] N,N-dimethylcarbamate

C14H22N2O2 — CID 44570103

IUPAC[3-(dimethylamino)-3-phenylpropyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCCC(c1ccccc1)N(C)C
InChIInChI=1S/C14H22N2O2/c1-15(2)13(12-8-6-5-7-9-12)10-11-18-14(17)16(3)4/h5-9,13H,10-11H2,1-4H3
InChIKeyADOOJVSLMGFMTK-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.38
Rot. Bonds5

About [3-(dimethylamino)-3-phenylpropyl] N,N-dimethylcarbamate

[3-(dimethylamino)-3-phenylpropyl] N,N-dimethylcarbamate (PubChem CID 44570103) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is [3-(dimethylamino)-3-phenylpropyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[3-(dimethylamino)-3-phenylpropyl] N,N-dimethylcarbamate
PubChem CID44570103
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name[3-(dimethylamino)-3-phenylpropyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCCC(c1ccccc1)N(C)C
InChIInChI=1S/C14H22N2O2/c1-15(2)13(12-8-6-5-7-9-12)10-11-18-14(17)16(3)4/h5-9,13H,10-11H2,1-4H3
InChIKeyADOOJVSLMGFMTK-UHFFFAOYSA-N
XLogP2.38
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Encyprate
CID 17298
3-(Dimethylamino)butyl benzyl(methyl)carbamate
CID 44570008
[3-(dimethylamino)-8-phenyloctyl] N,N-dimethylcarbamate
CID 122189551
(4R)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134136675
3-[4-[Benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134150074
(4S)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134157470
4-Phenyl-1,3-oxazinan-2-one
CID 12163896
[3-(dimethylamino)-6-phenylhexyl] N,N-dimethylcarbamate
CID 122189549
[3-(dimethylamino)-7-phenylheptyl] N,N-dimethylcarbamate
CID 122189550
[3-(dimethylamino)-5-phenylpentyl] N-methylcarbamate
CID 122189558
[3-(dimethylamino)-6-phenylhexyl] N-methylcarbamate
CID 122189559
[3-(dimethylamino)-7-phenylheptyl] N-methylcarbamate
CID 122189560

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-3-phenylpropyl] N,N-dimethylcarbamate?
The IUPAC name of [3-(dimethylamino)-3-phenylpropyl] N,N-dimethylcarbamate (CID 44570103) is [3-(dimethylamino)-3-phenylpropyl] N,N-dimethylcarbamate.
What is the SMILES notation for [3-(dimethylamino)-3-phenylpropyl] N,N-dimethylcarbamate?
The canonical SMILES for [3-(dimethylamino)-3-phenylpropyl] N,N-dimethylcarbamate is CN(C)C(=O)OCCC(c1ccccc1)N(C)C.
What is the InChIKey of [3-(dimethylamino)-3-phenylpropyl] N,N-dimethylcarbamate?
The InChIKey is ADOOJVSLMGFMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-15(2)13(12-8-6-5-7-9-12)10-11-18-14(17)16(3)4/h5-9,13H,10-11H2,1-4H3.
What are the key properties of [3-(dimethylamino)-3-phenylpropyl] N,N-dimethylcarbamate?
[3-(dimethylamino)-3-phenylpropyl] N,N-dimethylcarbamate has a molecular weight of 250.34 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-3-phenylpropyl] N,N-dimethylcarbamate is sourced from PubChem (CID 44570103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).