[3-(dimethylamino)-8-phenyloctyl] N-methylcarbamate

C18H30N2O2 — CID 122189561

IUPAC[3-(dimethylamino)-8-phenyloctyl] N-methylcarbamate
SMILESCNC(=O)OCCC(CCCCCc1ccccc1)N(C)C
InChIInChI=1S/C18H30N2O2/c1-19-18(21)22-15-14-17(20(2)3)13-9-5-8-12-16-10-6-4-7-11-16/h4,6-7,10-11,17H,5,8-9,12-15H2,1-3H3,(H,19,21)
InChIKeyWHVOFYINXGCBRX-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.47
Rot. Bonds10

About [3-(dimethylamino)-8-phenyloctyl] N-methylcarbamate

[3-(dimethylamino)-8-phenyloctyl] N-methylcarbamate (PubChem CID 122189561) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is [3-(dimethylamino)-8-phenyloctyl] N-methylcarbamate.

Molecular Properties

Compound Name[3-(dimethylamino)-8-phenyloctyl] N-methylcarbamate
PubChem CID122189561
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name[3-(dimethylamino)-8-phenyloctyl] N-methylcarbamate
SMILESCNC(=O)OCCC(CCCCCc1ccccc1)N(C)C
InChIInChI=1S/C18H30N2O2/c1-19-18(21)22-15-14-17(20(2)3)13-9-5-8-12-16-10-6-4-7-11-16/h4,6-7,10-11,17H,5,8-9,12-15H2,1-3H3,(H,19,21)
InChIKeyWHVOFYINXGCBRX-UHFFFAOYSA-N
XLogP3.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(Dimethylamino)butyl 3-phenylpropylcarbamate
CID 44570057
((S)-1-Formyl-pentyl)-carbamic acid 3-phenyl-propyl ester
CID 44343100
[3-(dimethylamino)-8-phenyloctyl] N,N-dimethylcarbamate
CID 122189551
Tmc-49A
CID 10176847
[(2R)-3-methyl-1-phenylbutan-2-yl] N-[(2S)-1-hydroxyhexan-2-yl]carbamate
CID 23586136
Carbamic acid, methyl-, 3-phenylpropyl ester
CID 56203
Carbamic acid, isopropyl-, 3-phenylpropyl ester
CID 56352
Carbamic acid, propyl-, 3-phenylpropyl ester
CID 56353
Carbamic acid, (1-(hydroxymethyl)-2-phenylethyl)-, ethyl ester
CID 209004
3-(Dimethylamino)-3-phenylpropyl dimethylcarbamate
CID 44570103
[3-(dimethylamino)-6-phenylhexyl] N,N-dimethylcarbamate
CID 122189549
[3-(dimethylamino)-7-phenylheptyl] N,N-dimethylcarbamate
CID 122189550

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-8-phenyloctyl] N-methylcarbamate?
The IUPAC name of [3-(dimethylamino)-8-phenyloctyl] N-methylcarbamate (CID 122189561) is [3-(dimethylamino)-8-phenyloctyl] N-methylcarbamate.
What is the SMILES notation for [3-(dimethylamino)-8-phenyloctyl] N-methylcarbamate?
The canonical SMILES for [3-(dimethylamino)-8-phenyloctyl] N-methylcarbamate is CNC(=O)OCCC(CCCCCc1ccccc1)N(C)C.
What is the InChIKey of [3-(dimethylamino)-8-phenyloctyl] N-methylcarbamate?
The InChIKey is WHVOFYINXGCBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-19-18(21)22-15-14-17(20(2)3)13-9-5-8-12-16-10-6-4-7-11-16/h4,6-7,10-11,17H,5,8-9,12-15H2,1-3H3,(H,19,21).
What are the key properties of [3-(dimethylamino)-8-phenyloctyl] N-methylcarbamate?
[3-(dimethylamino)-8-phenyloctyl] N-methylcarbamate has a molecular weight of 306.45 g/mol, XLogP of 3.47, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-8-phenyloctyl] N-methylcarbamate is sourced from PubChem (CID 122189561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).