ethane;ethyl N-methyl-N-(3-methylbutyl)carbamate

C11H25NO2 — CID 168940776

IUPACethane;ethyl N-methyl-N-(3-methylbutyl)carbamate
SMILESCC.CCOC(=O)N(C)CCC(C)C
InChIInChI=1S/C9H19NO2.C2H6/c1-5-12-9(11)10(4)7-6-8(2)3;1-2/h8H,5-7H2,1-4H3;1-2H3
InChIKeyPXJYEKKZBOHNFH-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.15
Rot. Bonds4

About ethane;ethyl N-methyl-N-(3-methylbutyl)carbamate

ethane;ethyl N-methyl-N-(3-methylbutyl)carbamate (PubChem CID 168940776) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is ethane;ethyl N-methyl-N-(3-methylbutyl)carbamate.

Molecular Properties

Compound Nameethane;ethyl N-methyl-N-(3-methylbutyl)carbamate
PubChem CID168940776
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Nameethane;ethyl N-methyl-N-(3-methylbutyl)carbamate
SMILESCC.CCOC(=O)N(C)CCC(C)C
InChIInChI=1S/C9H19NO2.C2H6/c1-5-12-9(11)10(4)7-6-8(2)3;1-2/h8H,5-7H2,1-4H3;1-2H3
InChIKeyPXJYEKKZBOHNFH-UHFFFAOYSA-N
XLogP3.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl N-(2-chloroethyl)-N-methylcarbamate
CID 12882312
2,2,2-trifluoroethyl N-methyl-N-(3-methylbutyl)carbamate
CID 61066672
ethyl N-(4-fluoropentyl)-N-methylcarbamate
CID 142292737
ethyl N-[6-[ethoxycarbonyl(methyl)amino]hexyl]-N-methylcarbamate
CID 87185486
tert-butyl N-methyl-N-(3-methylbutyl)carbamate;propane
CID 163221568
ethyl N-(2,2-difluoroethyl)-N-methylcarbamate
CID 115611635
ethyl N-(3-hydroxy-3-phenylpropyl)-N-methylcarbamate
CID 19753336
ethyl N-methyl-N-[2-[methyl(methylsulfanyl)amino]ethyl]carbamate
CID 90725170
ethyl N-methyl-N-octylcarbamate
CID 15790108
ethyl N-methyl-N-[3-[methyl(propanoyl)amino]propyl]carbamate
CID 170571033
ethyl N-(3,3-dimethylbutyl)-N-methylcarbamate
CID 162784649
butane;ethyl N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate
CID 153346338

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl N-methyl-N-(3-methylbutyl)carbamate?
The IUPAC name of ethane;ethyl N-methyl-N-(3-methylbutyl)carbamate (CID 168940776) is ethane;ethyl N-methyl-N-(3-methylbutyl)carbamate.
What is the SMILES notation for ethane;ethyl N-methyl-N-(3-methylbutyl)carbamate?
The canonical SMILES for ethane;ethyl N-methyl-N-(3-methylbutyl)carbamate is CC.CCOC(=O)N(C)CCC(C)C.
What is the InChIKey of ethane;ethyl N-methyl-N-(3-methylbutyl)carbamate?
The InChIKey is PXJYEKKZBOHNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.C2H6/c1-5-12-9(11)10(4)7-6-8(2)3;1-2/h8H,5-7H2,1-4H3;1-2H3.
What are the key properties of ethane;ethyl N-methyl-N-(3-methylbutyl)carbamate?
ethane;ethyl N-methyl-N-(3-methylbutyl)carbamate has a molecular weight of 203.33 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl N-methyl-N-(3-methylbutyl)carbamate is sourced from PubChem (CID 168940776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).