ethyl N-butyl-N-(2,2-dimethylpropyl)carbamate

C12H25NO2 — CID 89281494

IUPACethyl N-butyl-N-(2,2-dimethylpropyl)carbamate
SMILESCCCCN(CC(C)(C)C)C(=O)OCC
InChIInChI=1S/C12H25NO2/c1-6-8-9-13(10-12(3,4)5)11(14)15-7-2/h6-10H2,1-5H3
InChIKeyNDMPYRRHZKGIRW-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.29
Rot. Bonds5

About ethyl N-butyl-N-(2,2-dimethylpropyl)carbamate

ethyl N-butyl-N-(2,2-dimethylpropyl)carbamate (PubChem CID 89281494) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is ethyl N-butyl-N-(2,2-dimethylpropyl)carbamate.

Molecular Properties

Compound Nameethyl N-butyl-N-(2,2-dimethylpropyl)carbamate
PubChem CID89281494
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nameethyl N-butyl-N-(2,2-dimethylpropyl)carbamate
SMILESCCCCN(CC(C)(C)C)C(=O)OCC
InChIInChI=1S/C12H25NO2/c1-6-8-9-13(10-12(3,4)5)11(14)15-7-2/h6-10H2,1-5H3
InChIKeyNDMPYRRHZKGIRW-UHFFFAOYSA-N
XLogP3.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

propyl N-butyl-N-(2,2-dimethylpropyl)carbamate
CID 89281489
ethyl N,N-didodecylcarbamate
CID 70629624
ethyl N-[6-[ethoxycarbonyl(octyl)amino]hexyl]-N-octylcarbamate
CID 23053337
ethyl N,N-di(heptadecyl)carbamate
CID 70629745
ethyl N-heptyl-N-(3-hydroxypropyl)carbamate
CID 64593193
N-butyl-3,3-dimethyl-N-pentylbutanamide
CID 18736050
N-(3-aminopropyl)-N-butyl-3,3-dimethylbutanamide
CID 58848995
ethyl N-[2-[ethoxycarbonyl(ethyl)amino]ethyl]-N-ethylcarbamate
CID 11777393
ethyl N,N-didodecylcarbamate;hexa-2,4-diyne-1,6-diol
CID 163902073
N-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 78866720
ethyl N-(formamidomethyl)-N-hexylcarbamate
CID 54056143
ethyl 4-[butyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoate
CID 60778332

Frequently Asked Questions

What is the IUPAC name of ethyl N-butyl-N-(2,2-dimethylpropyl)carbamate?
The IUPAC name of ethyl N-butyl-N-(2,2-dimethylpropyl)carbamate (CID 89281494) is ethyl N-butyl-N-(2,2-dimethylpropyl)carbamate.
What is the SMILES notation for ethyl N-butyl-N-(2,2-dimethylpropyl)carbamate?
The canonical SMILES for ethyl N-butyl-N-(2,2-dimethylpropyl)carbamate is CCCCN(CC(C)(C)C)C(=O)OCC.
What is the InChIKey of ethyl N-butyl-N-(2,2-dimethylpropyl)carbamate?
The InChIKey is NDMPYRRHZKGIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-6-8-9-13(10-12(3,4)5)11(14)15-7-2/h6-10H2,1-5H3.
What are the key properties of ethyl N-butyl-N-(2,2-dimethylpropyl)carbamate?
ethyl N-butyl-N-(2,2-dimethylpropyl)carbamate has a molecular weight of 215.34 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-butyl-N-(2,2-dimethylpropyl)carbamate is sourced from PubChem (CID 89281494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).