[3-(dimethylamino)-8-phenyloctyl] N,N-dimethylcarbamate

C19H32N2O2 — CID 122189551

IUPAC[3-(dimethylamino)-8-phenyloctyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCCC(CCCCCc1ccccc1)N(C)C
InChIInChI=1S/C19H32N2O2/c1-20(2)18(15-16-23-19(22)21(3)4)14-10-6-9-13-17-11-7-5-8-12-17/h5,7-8,11-12,18H,6,9-10,13-16H2,1-4H3
InChIKeyNNEJPWXAQWMXIK-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.81
Rot. Bonds10

About [3-(dimethylamino)-8-phenyloctyl] N,N-dimethylcarbamate

[3-(dimethylamino)-8-phenyloctyl] N,N-dimethylcarbamate (PubChem CID 122189551) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is [3-(dimethylamino)-8-phenyloctyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[3-(dimethylamino)-8-phenyloctyl] N,N-dimethylcarbamate
PubChem CID122189551
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name[3-(dimethylamino)-8-phenyloctyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCCC(CCCCCc1ccccc1)N(C)C
InChIInChI=1S/C19H32N2O2/c1-20(2)18(15-16-23-19(22)21(3)4)14-10-6-9-13-17-11-7-5-8-12-17/h5,7-8,11-12,18H,6,9-10,13-16H2,1-4H3
InChIKeyNNEJPWXAQWMXIK-UHFFFAOYSA-N
XLogP3.81
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-8-phenyloctyl] N,N-dimethylcarbamate?
The IUPAC name of [3-(dimethylamino)-8-phenyloctyl] N,N-dimethylcarbamate (CID 122189551) is [3-(dimethylamino)-8-phenyloctyl] N,N-dimethylcarbamate.
What is the SMILES notation for [3-(dimethylamino)-8-phenyloctyl] N,N-dimethylcarbamate?
The canonical SMILES for [3-(dimethylamino)-8-phenyloctyl] N,N-dimethylcarbamate is CN(C)C(=O)OCCC(CCCCCc1ccccc1)N(C)C.
What is the InChIKey of [3-(dimethylamino)-8-phenyloctyl] N,N-dimethylcarbamate?
The InChIKey is NNEJPWXAQWMXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-20(2)18(15-16-23-19(22)21(3)4)14-10-6-9-13-17-11-7-5-8-12-17/h5,7-8,11-12,18H,6,9-10,13-16H2,1-4H3.
What are the key properties of [3-(dimethylamino)-8-phenyloctyl] N,N-dimethylcarbamate?
[3-(dimethylamino)-8-phenyloctyl] N,N-dimethylcarbamate has a molecular weight of 320.48 g/mol, XLogP of 3.81, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-8-phenyloctyl] N,N-dimethylcarbamate is sourced from PubChem (CID 122189551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).