ethyl N-(3,3,4,4-tetramethylpentyl)carbamate

C12H25NO2 — CID 20706638

IUPACethyl N-(3,3,4,4-tetramethylpentyl)carbamate
SMILESCCOC(=O)NCCC(C)(C)C(C)(C)C
InChIInChI=1S/C12H25NO2/c1-7-15-10(14)13-9-8-12(5,6)11(2,3)4/h7-9H2,1-6H3,(H,13,14)
InChIKeyXYHUAVZUSCPYRB-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.19
Rot. Bonds4

About ethyl N-(3,3,4,4-tetramethylpentyl)carbamate

ethyl N-(3,3,4,4-tetramethylpentyl)carbamate (PubChem CID 20706638) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is ethyl N-(3,3,4,4-tetramethylpentyl)carbamate.

Molecular Properties

Compound Nameethyl N-(3,3,4,4-tetramethylpentyl)carbamate
PubChem CID20706638
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nameethyl N-(3,3,4,4-tetramethylpentyl)carbamate
SMILESCCOC(=O)NCCC(C)(C)C(C)(C)C
InChIInChI=1S/C12H25NO2/c1-7-15-10(14)13-9-8-12(5,6)11(2,3)4/h7-9H2,1-6H3,(H,13,14)
InChIKeyXYHUAVZUSCPYRB-UHFFFAOYSA-N
XLogP3.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(3,3,4,4-tetramethylpentyl)carbamate?
The IUPAC name of ethyl N-(3,3,4,4-tetramethylpentyl)carbamate (CID 20706638) is ethyl N-(3,3,4,4-tetramethylpentyl)carbamate.
What is the SMILES notation for ethyl N-(3,3,4,4-tetramethylpentyl)carbamate?
The canonical SMILES for ethyl N-(3,3,4,4-tetramethylpentyl)carbamate is CCOC(=O)NCCC(C)(C)C(C)(C)C.
What is the InChIKey of ethyl N-(3,3,4,4-tetramethylpentyl)carbamate?
The InChIKey is XYHUAVZUSCPYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-7-15-10(14)13-9-8-12(5,6)11(2,3)4/h7-9H2,1-6H3,(H,13,14).
What are the key properties of ethyl N-(3,3,4,4-tetramethylpentyl)carbamate?
ethyl N-(3,3,4,4-tetramethylpentyl)carbamate has a molecular weight of 215.34 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3,3,4,4-tetramethylpentyl)carbamate is sourced from PubChem (CID 20706638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).