benzene;ethane;N-ethylacetamide

C12H21NO — CID 90871799

IUPACbenzene;ethane;N-ethylacetamide
SMILESCC.CCNC(C)=O.c1ccccc1
InChIInChI=1S/C6H6.C4H9NO.C2H6/c1-2-4-6-5-3-1;1-3-5-4(2)6;1-2/h1-6H;3H2,1-2H3,(H,5,6);1-2H3
InChIKeyMOFNRMFZEUAFKF-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.86
Rot. Bonds1

About benzene;ethane;N-ethylacetamide

benzene;ethane;N-ethylacetamide (PubChem CID 90871799) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is benzene;ethane;N-ethylacetamide.

Molecular Properties

Compound Namebenzene;ethane;N-ethylacetamide
PubChem CID90871799
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Namebenzene;ethane;N-ethylacetamide
SMILESCC.CCNC(C)=O.c1ccccc1
InChIInChI=1S/C6H6.C4H9NO.C2H6/c1-2-4-6-5-3-1;1-3-5-4(2)6;1-2/h1-6H;3H2,1-2H3,(H,5,6);1-2H3
InChIKeyMOFNRMFZEUAFKF-UHFFFAOYSA-N
XLogP2.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-(bromomethyl)acetamide
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ethylcarbamic acid;yttrium
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CID 142489172
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N-ethylbenzamide
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Frequently Asked Questions

What is the IUPAC name of benzene;ethane;N-ethylacetamide?
The IUPAC name of benzene;ethane;N-ethylacetamide (CID 90871799) is benzene;ethane;N-ethylacetamide.
What is the SMILES notation for benzene;ethane;N-ethylacetamide?
The canonical SMILES for benzene;ethane;N-ethylacetamide is CC.CCNC(C)=O.c1ccccc1.
What is the InChIKey of benzene;ethane;N-ethylacetamide?
The InChIKey is MOFNRMFZEUAFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C4H9NO.C2H6/c1-2-4-6-5-3-1;1-3-5-4(2)6;1-2/h1-6H;3H2,1-2H3,(H,5,6);1-2H3.
What are the key properties of benzene;ethane;N-ethylacetamide?
benzene;ethane;N-ethylacetamide has a molecular weight of 195.31 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;N-ethylacetamide is sourced from PubChem (CID 90871799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).