[3-(dimethylamino)-6-phenylhexyl] N-methylcarbamate

C16H26N2O2 — CID 122189559

IUPAC[3-(dimethylamino)-6-phenylhexyl] N-methylcarbamate
SMILESCNC(=O)OCCC(CCCc1ccccc1)N(C)C
InChIInChI=1S/C16H26N2O2/c1-17-16(19)20-13-12-15(18(2)3)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3,(H,17,19)
InChIKeyALBLPWJXHPQGKN-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.69
Rot. Bonds8

About [3-(dimethylamino)-6-phenylhexyl] N-methylcarbamate

[3-(dimethylamino)-6-phenylhexyl] N-methylcarbamate (PubChem CID 122189559) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is [3-(dimethylamino)-6-phenylhexyl] N-methylcarbamate.

Molecular Properties

Compound Name[3-(dimethylamino)-6-phenylhexyl] N-methylcarbamate
PubChem CID122189559
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name[3-(dimethylamino)-6-phenylhexyl] N-methylcarbamate
SMILESCNC(=O)OCCC(CCCc1ccccc1)N(C)C
InChIInChI=1S/C16H26N2O2/c1-17-16(19)20-13-12-15(18(2)3)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3,(H,17,19)
InChIKeyALBLPWJXHPQGKN-UHFFFAOYSA-N
XLogP2.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-6-phenylhexyl] N-methylcarbamate?
The IUPAC name of [3-(dimethylamino)-6-phenylhexyl] N-methylcarbamate (CID 122189559) is [3-(dimethylamino)-6-phenylhexyl] N-methylcarbamate.
What is the SMILES notation for [3-(dimethylamino)-6-phenylhexyl] N-methylcarbamate?
The canonical SMILES for [3-(dimethylamino)-6-phenylhexyl] N-methylcarbamate is CNC(=O)OCCC(CCCc1ccccc1)N(C)C.
What is the InChIKey of [3-(dimethylamino)-6-phenylhexyl] N-methylcarbamate?
The InChIKey is ALBLPWJXHPQGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-17-16(19)20-13-12-15(18(2)3)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3,(H,17,19).
What are the key properties of [3-(dimethylamino)-6-phenylhexyl] N-methylcarbamate?
[3-(dimethylamino)-6-phenylhexyl] N-methylcarbamate has a molecular weight of 278.40 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-6-phenylhexyl] N-methylcarbamate is sourced from PubChem (CID 122189559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).