ethane;2-ethylpentanamide

C9H21NO — CID 178117178

IUPACethane;2-ethylpentanamide
SMILESCC.CCCC(CC)C(N)=O
InChIInChI=1S/C7H15NO.C2H6/c1-3-5-6(4-2)7(8)9;1-2/h6H,3-5H2,1-2H3,(H2,8,9);1-2H3
InChIKeyVGOLDALPXVWTLT-UHFFFAOYSA-N
MW159.27 g/mol
LogP2.32
Rot. Bonds4

About ethane;2-ethylpentanamide

ethane;2-ethylpentanamide (PubChem CID 178117178) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is ethane;2-ethylpentanamide.

Molecular Properties

Compound Nameethane;2-ethylpentanamide
PubChem CID178117178
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Nameethane;2-ethylpentanamide
SMILESCC.CCCC(CC)C(N)=O
InChIInChI=1S/C7H15NO.C2H6/c1-3-5-6(4-2)7(8)9;1-2/h6H,3-5H2,1-2H3,(H2,8,9);1-2H3
InChIKeyVGOLDALPXVWTLT-UHFFFAOYSA-N
XLogP2.32
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethylpentanamide;hydrochloride
CID 121334657
dodecane-2,4,6,8-tetracarboxamide
CID 89075509
(2S,4R)-4-carbamoyl-2-propylhexanoic acid
CID 59815875
2-ethyl-5-hydroxypentanamide
CID 21402948
lithium;2-ethylhexanamide;hydride
CID 173043498
2-propylhexanamide
CID 19818979
(2S)-2-ethylpentanediamide
CID 146526357
2-[(dipropylamino)methyl]pentanamide
CID 23363408
azane;2-ethyldodecanamide
CID 174462460
5-hydroxy-2-propylpentanamide
CID 21402979
2-ethyl-4-(propylamino)butanamide
CID 143325556
(4R)-4-carbamoylheptanoic acid
CID 171618269

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethylpentanamide?
The IUPAC name of ethane;2-ethylpentanamide (CID 178117178) is ethane;2-ethylpentanamide.
What is the SMILES notation for ethane;2-ethylpentanamide?
The canonical SMILES for ethane;2-ethylpentanamide is CC.CCCC(CC)C(N)=O.
What is the InChIKey of ethane;2-ethylpentanamide?
The InChIKey is VGOLDALPXVWTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C2H6/c1-3-5-6(4-2)7(8)9;1-2/h6H,3-5H2,1-2H3,(H2,8,9);1-2H3.
What are the key properties of ethane;2-ethylpentanamide?
ethane;2-ethylpentanamide has a molecular weight of 159.27 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethylpentanamide is sourced from PubChem (CID 178117178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).