N-[(2S)-3,3-dimethylbutan-2-yl]-N-ethylacetamide

C10H21NO — CID 126737316

IUPACN-[(2S)-3,3-dimethylbutan-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)[C@@H](C)C(C)(C)C
InChIInChI=1S/C10H21NO/c1-7-11(9(3)12)8(2)10(4,5)6/h8H,7H2,1-6H3/t8-/m0/s1
InChIKeyWKPQEINHUGAEQW-QMMMGPOBSA-N
MW171.28 g/mol
LogP2.29
Rot. Bonds2

About N-[(2S)-3,3-dimethylbutan-2-yl]-N-ethylacetamide

N-[(2S)-3,3-dimethylbutan-2-yl]-N-ethylacetamide (PubChem CID 126737316) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-[(2S)-3,3-dimethylbutan-2-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[(2S)-3,3-dimethylbutan-2-yl]-N-ethylacetamide
PubChem CID126737316
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-[(2S)-3,3-dimethylbutan-2-yl]-N-ethylacetamide
SMILESCCN(C(C)=O)[C@@H](C)C(C)(C)C
InChIInChI=1S/C10H21NO/c1-7-11(9(3)12)8(2)10(4,5)6/h8H,7H2,1-6H3/t8-/m0/s1
InChIKeyWKPQEINHUGAEQW-QMMMGPOBSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3,3-dimethylbutan-2-yl]-N-ethylacetamide?
The IUPAC name of N-[(2S)-3,3-dimethylbutan-2-yl]-N-ethylacetamide (CID 126737316) is N-[(2S)-3,3-dimethylbutan-2-yl]-N-ethylacetamide.
What is the SMILES notation for N-[(2S)-3,3-dimethylbutan-2-yl]-N-ethylacetamide?
The canonical SMILES for N-[(2S)-3,3-dimethylbutan-2-yl]-N-ethylacetamide is CCN(C(C)=O)[C@@H](C)C(C)(C)C.
What is the InChIKey of N-[(2S)-3,3-dimethylbutan-2-yl]-N-ethylacetamide?
The InChIKey is WKPQEINHUGAEQW-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H21NO/c1-7-11(9(3)12)8(2)10(4,5)6/h8H,7H2,1-6H3/t8-/m0/s1.
What are the key properties of N-[(2S)-3,3-dimethylbutan-2-yl]-N-ethylacetamide?
N-[(2S)-3,3-dimethylbutan-2-yl]-N-ethylacetamide has a molecular weight of 171.28 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3,3-dimethylbutan-2-yl]-N-ethylacetamide is sourced from PubChem (CID 126737316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).