benzene;ethane;N-ethyl-2,3,3-trimethylbutanamide

C17H31NO — CID 143855700

IUPACbenzene;ethane;N-ethyl-2,3,3-trimethylbutanamide
SMILESCC.CCNC(=O)C(C)C(C)(C)C.c1ccccc1
InChIInChI=1S/C9H19NO.C6H6.C2H6/c1-6-10-8(11)7(2)9(3,4)5;1-2-4-6-5-3-1;1-2/h7H,6H2,1-5H3,(H,10,11);1-6H;1-2H3
InChIKeyOWXFNVAZESBPQQ-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.52
Rot. Bonds2

About benzene;ethane;N-ethyl-2,3,3-trimethylbutanamide

benzene;ethane;N-ethyl-2,3,3-trimethylbutanamide (PubChem CID 143855700) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is benzene;ethane;N-ethyl-2,3,3-trimethylbutanamide.

Molecular Properties

Compound Namebenzene;ethane;N-ethyl-2,3,3-trimethylbutanamide
PubChem CID143855700
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Namebenzene;ethane;N-ethyl-2,3,3-trimethylbutanamide
SMILESCC.CCNC(=O)C(C)C(C)(C)C.c1ccccc1
InChIInChI=1S/C9H19NO.C6H6.C2H6/c1-6-10-8(11)7(2)9(3,4)5;1-2-4-6-5-3-1;1-2/h7H,6H2,1-5H3,(H,10,11);1-6H;1-2H3
InChIKeyOWXFNVAZESBPQQ-UHFFFAOYSA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;(2S)-2,3,3-trimethyl-N-propylbutanamide
CID 143641888
propane;2,3,3-trimethyl-N-propylbutanamide
CID 143577775
(2S)-N-(2-hydroxyethyl)-2,3,3-trimethylbutanamide
CID 143641934
N-[2-(carbamoylamino)ethyl]-2,3,3-trimethylbutanamide;ethane
CID 143855257
2-(2,3,3-trimethylbutanoylamino)butanoic acid
CID 120687072
2-phenyl-3-(2,3,3-trimethylbutanoylamino)propanoic acid
CID 120688095
N-(2-amino-2-oxoethyl)-2,3,3-trimethylbutanamide
CID 143641947
ethane;N-ethyl-2-methylbutanamide
CID 145471862
[1-(ethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-λ2-stannane
CID 174942206
(2R)-2-(tert-butylamino)-N-ethylpropanamide
CID 146263926
benzene;ethane;N-ethylacetamide
CID 90871799
(2S)-2-(2,3,3-trimethylbutanoylamino)hexanoic acid
CID 120615278

Frequently Asked Questions

What is the IUPAC name of benzene;ethane;N-ethyl-2,3,3-trimethylbutanamide?
The IUPAC name of benzene;ethane;N-ethyl-2,3,3-trimethylbutanamide (CID 143855700) is benzene;ethane;N-ethyl-2,3,3-trimethylbutanamide.
What is the SMILES notation for benzene;ethane;N-ethyl-2,3,3-trimethylbutanamide?
The canonical SMILES for benzene;ethane;N-ethyl-2,3,3-trimethylbutanamide is CC.CCNC(=O)C(C)C(C)(C)C.c1ccccc1.
What is the InChIKey of benzene;ethane;N-ethyl-2,3,3-trimethylbutanamide?
The InChIKey is OWXFNVAZESBPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.C6H6.C2H6/c1-6-10-8(11)7(2)9(3,4)5;1-2-4-6-5-3-1;1-2/h7H,6H2,1-5H3,(H,10,11);1-6H;1-2H3.
What are the key properties of benzene;ethane;N-ethyl-2,3,3-trimethylbutanamide?
benzene;ethane;N-ethyl-2,3,3-trimethylbutanamide has a molecular weight of 265.44 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;N-ethyl-2,3,3-trimethylbutanamide is sourced from PubChem (CID 143855700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).