benzene;ethane;ethyl N,N-dimethylcarbamate;methoxyethane

C20H43NO3 — CID 160556714

IUPACbenzene;ethane;ethyl N,N-dimethylcarbamate;methoxyethane
SMILESCC.CC.CC.CCOC.CCOC(=O)N(C)C.c1ccccc1
InChIInChI=1S/C6H6.C5H11NO2.C3H8O.3C2H6/c1-2-4-6-5-3-1;1-4-8-5(7)6(2)3;1-3-4-2;3*1-2/h1-6H;4H2,1-3H3;3H2,1-2H3;3*1-2H3
InChIKeyQYTWTBSPFRBNRE-UHFFFAOYSA-N
MW345.57 g/mol
LogP6.12
Rot. Bonds2

About benzene;ethane;ethyl N,N-dimethylcarbamate;methoxyethane

benzene;ethane;ethyl N,N-dimethylcarbamate;methoxyethane (PubChem CID 160556714) has the molecular formula C20H43NO3 and a molecular weight of 345.57 g/mol. Its IUPAC name is benzene;ethane;ethyl N,N-dimethylcarbamate;methoxyethane.

Molecular Properties

Compound Namebenzene;ethane;ethyl N,N-dimethylcarbamate;methoxyethane
PubChem CID160556714
Molecular FormulaC20H43NO3
Molecular Weight345.57 g/mol
Exact Mass345.32
IUPAC Namebenzene;ethane;ethyl N,N-dimethylcarbamate;methoxyethane
SMILESCC.CC.CC.CCOC.CCOC(=O)N(C)C.c1ccccc1
InChIInChI=1S/C6H6.C5H11NO2.C3H8O.3C2H6/c1-2-4-6-5-3-1;1-4-8-5(7)6(2)3;1-3-4-2;3*1-2/h1-6H;4H2,1-3H3;3H2,1-2H3;3*1-2H3
InChIKeyQYTWTBSPFRBNRE-UHFFFAOYSA-N
XLogP6.12
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.57
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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dimethylcarbamoyl ethyl carbonate
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ethyl N-[ethoxycarbonyl(methoxy)amino]-N-methoxycarbamate
CID 86250669
benzyl N,N-dimethylcarbamate
CID 12963450
benzene;methane;methoxyethane
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ethyl N,N-diaminocarbamate
CID 54365685
ethyl acetate;methoxyethane;propane
CID 159041410
ethyl N-methoxy-N-(2-methoxyethyl)carbamate
CID 45122902
ethoxycarbonyl(ethyl)carbamic acid
CID 54008560
ethyl N-carbonochloridoyl-N-phenylcarbamate
CID 54098046
ethyl N-[5-[ethoxycarbonyl(methyl)amino]naphthalen-1-yl]-N-methylcarbamate
CID 66870694
ethyl N-(2-aminoacetyl)-N-phenylcarbamate
CID 174322881

Frequently Asked Questions

What is the IUPAC name of benzene;ethane;ethyl N,N-dimethylcarbamate;methoxyethane?
The IUPAC name of benzene;ethane;ethyl N,N-dimethylcarbamate;methoxyethane (CID 160556714) is benzene;ethane;ethyl N,N-dimethylcarbamate;methoxyethane.
What is the SMILES notation for benzene;ethane;ethyl N,N-dimethylcarbamate;methoxyethane?
The canonical SMILES for benzene;ethane;ethyl N,N-dimethylcarbamate;methoxyethane is CC.CC.CC.CCOC.CCOC(=O)N(C)C.c1ccccc1.
What is the InChIKey of benzene;ethane;ethyl N,N-dimethylcarbamate;methoxyethane?
The InChIKey is QYTWTBSPFRBNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C5H11NO2.C3H8O.3C2H6/c1-2-4-6-5-3-1;1-4-8-5(7)6(2)3;1-3-4-2;3*1-2/h1-6H;4H2,1-3H3;3H2,1-2H3;3*1-2H3.
What are the key properties of benzene;ethane;ethyl N,N-dimethylcarbamate;methoxyethane?
benzene;ethane;ethyl N,N-dimethylcarbamate;methoxyethane has a molecular weight of 345.57 g/mol, XLogP of 6.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;ethyl N,N-dimethylcarbamate;methoxyethane is sourced from PubChem (CID 160556714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).