(E)-N-(2-ethylhexyl)but-2-enamide

C12H23NO — CID 23335626

IUPAC(E)-N-(2-ethylhexyl)but-2-enamide
SMILESC/C=C/C(=O)NCC(CC)CCCC
InChIInChI=1S/C12H23NO/c1-4-7-9-11(6-3)10-13-12(14)8-5-2/h5,8,11H,4,6-7,9-10H2,1-3H3,(H,13,14)/b8-5+
InChIKeyDIYAOKIMBPJKQL-VMPITWQZSA-N
MW197.32 g/mol
LogP2.90
Rot. Bonds7

About (E)-N-(2-ethylhexyl)but-2-enamide

(E)-N-(2-ethylhexyl)but-2-enamide (PubChem CID 23335626) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (E)-N-(2-ethylhexyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-ethylhexyl)but-2-enamide
PubChem CID23335626
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(E)-N-(2-ethylhexyl)but-2-enamide
SMILESC/C=C/C(=O)NCC(CC)CCCC
InChIInChI=1S/C12H23NO/c1-4-7-9-11(6-3)10-13-12(14)8-5-2/h5,8,11H,4,6-7,9-10H2,1-3H3,(H,13,14)/b8-5+
InChIKeyDIYAOKIMBPJKQL-VMPITWQZSA-N
XLogP2.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethylhexyl)acetamide;fluoromethane
CID 145149425
(E)-N-(2-ethylhexyl)-3-(furan-2-yl)prop-2-enamide
CID 6382996
4-amino-N-(2-ethylhexyl)butanamide
CID 61249429
5-(2-ethylhexylamino)-5-oxopentanoic acid
CID 4181990
(E)-3-(3-aminophenyl)-N-(2-ethylhexyl)prop-2-enamide
CID 115343618
N-(2-ethylhexyl)-2-hydroxy-2-methylpropanamide
CID 104936564
calcium;N-(2-ethylhexyl)-3-oxobutanamide;hydride
CID 173102099
1-(2-ethylhexyl)-3-propan-2-ylurea
CID 78858171
2-bromo-N-(2-ethylhexyl)butanamide
CID 62854370
2-bromo-N-(2-ethylhexyl)propanamide
CID 82109337
5-amino-N-(2-ethylhexyl)hexanamide
CID 82851927
4-amino-N-(2-ethylhexyl)butanamide;hydrochloride
CID 119261618

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-ethylhexyl)but-2-enamide?
The IUPAC name of (E)-N-(2-ethylhexyl)but-2-enamide (CID 23335626) is (E)-N-(2-ethylhexyl)but-2-enamide.
What is the SMILES notation for (E)-N-(2-ethylhexyl)but-2-enamide?
The canonical SMILES for (E)-N-(2-ethylhexyl)but-2-enamide is C/C=C/C(=O)NCC(CC)CCCC.
What is the InChIKey of (E)-N-(2-ethylhexyl)but-2-enamide?
The InChIKey is DIYAOKIMBPJKQL-VMPITWQZSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-7-9-11(6-3)10-13-12(14)8-5-2/h5,8,11H,4,6-7,9-10H2,1-3H3,(H,13,14)/b8-5+.
What are the key properties of (E)-N-(2-ethylhexyl)but-2-enamide?
(E)-N-(2-ethylhexyl)but-2-enamide has a molecular weight of 197.32 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-ethylhexyl)but-2-enamide is sourced from PubChem (CID 23335626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).