[3-(dimethylamino)-6-hydroxy-6-phenylhexyl] N,N-dimethylcarbamate

C17H28N2O3 — CID 122189552

IUPAC[3-(dimethylamino)-6-hydroxy-6-phenylhexyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCCC(CCC(O)c1ccccc1)N(C)C
InChIInChI=1S/C17H28N2O3/c1-18(2)15(12-13-22-17(21)19(3)4)10-11-16(20)14-8-6-5-7-9-14/h5-9,15-16,20H,10-13H2,1-4H3
InChIKeyUKDDGECBQDAWQV-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.52
Rot. Bonds8

About [3-(dimethylamino)-6-hydroxy-6-phenylhexyl] N,N-dimethylcarbamate

[3-(dimethylamino)-6-hydroxy-6-phenylhexyl] N,N-dimethylcarbamate (PubChem CID 122189552) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is [3-(dimethylamino)-6-hydroxy-6-phenylhexyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[3-(dimethylamino)-6-hydroxy-6-phenylhexyl] N,N-dimethylcarbamate
PubChem CID122189552
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name[3-(dimethylamino)-6-hydroxy-6-phenylhexyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCCC(CCC(O)c1ccccc1)N(C)C
InChIInChI=1S/C17H28N2O3/c1-18(2)15(12-13-22-17(21)19(3)4)10-11-16(20)14-8-6-5-7-9-14/h5-9,15-16,20H,10-13H2,1-4H3
InChIKeyUKDDGECBQDAWQV-UHFFFAOYSA-N
XLogP2.52
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-6-hydroxy-6-phenylhexyl] N,N-dimethylcarbamate?
The IUPAC name of [3-(dimethylamino)-6-hydroxy-6-phenylhexyl] N,N-dimethylcarbamate (CID 122189552) is [3-(dimethylamino)-6-hydroxy-6-phenylhexyl] N,N-dimethylcarbamate.
What is the SMILES notation for [3-(dimethylamino)-6-hydroxy-6-phenylhexyl] N,N-dimethylcarbamate?
The canonical SMILES for [3-(dimethylamino)-6-hydroxy-6-phenylhexyl] N,N-dimethylcarbamate is CN(C)C(=O)OCCC(CCC(O)c1ccccc1)N(C)C.
What is the InChIKey of [3-(dimethylamino)-6-hydroxy-6-phenylhexyl] N,N-dimethylcarbamate?
The InChIKey is UKDDGECBQDAWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-18(2)15(12-13-22-17(21)19(3)4)10-11-16(20)14-8-6-5-7-9-14/h5-9,15-16,20H,10-13H2,1-4H3.
What are the key properties of [3-(dimethylamino)-6-hydroxy-6-phenylhexyl] N,N-dimethylcarbamate?
[3-(dimethylamino)-6-hydroxy-6-phenylhexyl] N,N-dimethylcarbamate has a molecular weight of 308.42 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-6-hydroxy-6-phenylhexyl] N,N-dimethylcarbamate is sourced from PubChem (CID 122189552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).