3,3-dimethyldecan-2-yl N-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]carbamate

C24H49NO4 — CID 166970083

IUPAC3,3-dimethyldecan-2-yl N-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]carbamate
SMILESCCCCCCCC(C)(C)C(C)OC(=O)NCCC(C)(C)OCCC(C)(C)OC
InChIInChI=1S/C24H49NO4/c1-10-11-12-13-14-15-22(3,4)20(2)29-21(26)25-18-16-24(7,8)28-19-17-23(5,6)27-9/h20H,10-19H2,1-9H3,(H,25,26)
InChIKeyHALIDGCMNZMRMP-UHFFFAOYSA-N
MW415.66 g/mol
LogP6.49
Rot. Bonds16

About 3,3-dimethyldecan-2-yl N-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]carbamate

3,3-dimethyldecan-2-yl N-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]carbamate (PubChem CID 166970083) has the molecular formula C24H49NO4 and a molecular weight of 415.66 g/mol. Its IUPAC name is 3,3-dimethyldecan-2-yl N-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]carbamate.

Molecular Properties

Compound Name3,3-dimethyldecan-2-yl N-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]carbamate
PubChem CID166970083
Molecular FormulaC24H49NO4
Molecular Weight415.66 g/mol
Exact Mass415.37
IUPAC Name3,3-dimethyldecan-2-yl N-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]carbamate
SMILESCCCCCCCC(C)(C)C(C)OC(=O)NCCC(C)(C)OCCC(C)(C)OC
InChIInChI=1S/C24H49NO4/c1-10-11-12-13-14-15-22(3,4)20(2)29-21(26)25-18-16-24(7,8)28-19-17-23(5,6)27-9/h20H,10-19H2,1-9H3,(H,25,26)
InChIKeyHALIDGCMNZMRMP-UHFFFAOYSA-N
XLogP6.49
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.66
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-dodecyltetradecyl)-N-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]butanediamide
CID 123413413
nonacosan-15-yl N-[3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropyl]carbamate
CID 142542973
[2-formamido-3-(octadecylcarbamoyloxy)propyl] N-[4-(3-methoxy-3-methylbutoxy)-4-methylpentyl]carbamate
CID 126747782
[(2R)-3,3-dimethylbutan-2-yl] N-octylcarbamate
CID 134419359
[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl] N-(2-octadecylsulfanylhenicosyl)carbamate
CID 123937474
N-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]-N',N'-bis(2-octadecoxyethyl)butanediamide
CID 176935640
3,3-dimethylnonan-2-yl ethyl carbonate
CID 155451609
2-dodecyl-N-[6-(3-methoxy-3-methylbutoxy)-2,2,4,4,6-pentamethylheptyl]tetradecanamide
CID 123414340
dotriacontan-16-yl N-[3-(1-hydroxy-2-methylpropan-2-yl)oxypropyl]carbamate
CID 130218303
N-[4-(3-methoxy-3-methylbutoxy)-4-methylpentyl]-N-tetradecyltetradecan-1-amine
CID 167283849
4-(3-methoxy-3-methylbutoxy)-4-methylpentan-1-ol
CID 170009716
heptatriacontan-19-yl 4-[2-[3-(3-methoxy-3-methylbutoxy)-3-methylpentoxy]ethylamino]-4-oxobutanoate
CID 123562045

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyldecan-2-yl N-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]carbamate?
The IUPAC name of 3,3-dimethyldecan-2-yl N-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]carbamate (CID 166970083) is 3,3-dimethyldecan-2-yl N-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]carbamate.
What is the SMILES notation for 3,3-dimethyldecan-2-yl N-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]carbamate?
The canonical SMILES for 3,3-dimethyldecan-2-yl N-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]carbamate is CCCCCCCC(C)(C)C(C)OC(=O)NCCC(C)(C)OCCC(C)(C)OC.
What is the InChIKey of 3,3-dimethyldecan-2-yl N-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]carbamate?
The InChIKey is HALIDGCMNZMRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49NO4/c1-10-11-12-13-14-15-22(3,4)20(2)29-21(26)25-18-16-24(7,8)28-19-17-23(5,6)27-9/h20H,10-19H2,1-9H3,(H,25,26).
What are the key properties of 3,3-dimethyldecan-2-yl N-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]carbamate?
3,3-dimethyldecan-2-yl N-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]carbamate has a molecular weight of 415.66 g/mol, XLogP of 6.49, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyldecan-2-yl N-[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl]carbamate is sourced from PubChem (CID 166970083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).