(E)-N-cyclohexyl-N-ethyl-2-prop-1-en-2-ylbut-2-enamide

C15H25NO — CID 143682339

IUPAC(E)-N-cyclohexyl-N-ethyl-2-prop-1-en-2-ylbut-2-enamide
SMILESC=C(C)/C(=C\C)C(=O)N(CC)C1CCCCC1
InChIInChI=1S/C15H25NO/c1-5-14(12(3)4)15(17)16(6-2)13-10-8-7-9-11-13/h5,13H,3,6-11H2,1-2,4H3/b14-5+
InChIKeyPPACVDIPMRBBBK-LHHJGKSTSA-N
MW235.37 g/mol
LogP3.69
Rot. Bonds4

About (E)-N-cyclohexyl-N-ethyl-2-prop-1-en-2-ylbut-2-enamide

(E)-N-cyclohexyl-N-ethyl-2-prop-1-en-2-ylbut-2-enamide (PubChem CID 143682339) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (E)-N-cyclohexyl-N-ethyl-2-prop-1-en-2-ylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclohexyl-N-ethyl-2-prop-1-en-2-ylbut-2-enamide
PubChem CID143682339
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(E)-N-cyclohexyl-N-ethyl-2-prop-1-en-2-ylbut-2-enamide
SMILESC=C(C)/C(=C\C)C(=O)N(CC)C1CCCCC1
InChIInChI=1S/C15H25NO/c1-5-14(12(3)4)15(17)16(6-2)13-10-8-7-9-11-13/h5,13H,3,6-11H2,1-2,4H3/b14-5+
InChIKeyPPACVDIPMRBBBK-LHHJGKSTSA-N
XLogP3.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N-cyclohexyl-N-ethyl-2-(ethylamino)-2-methylpropanamide
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2-(aminomethyl)-N-cyclohexyl-N-ethyl-2-methylbutanamide
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N-cyclopentyl-N-ethyl-2-methylpropanamide
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(E)-N-cyclohexyl-N-ethylhex-2-enamide
CID 26794549

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclohexyl-N-ethyl-2-prop-1-en-2-ylbut-2-enamide?
The IUPAC name of (E)-N-cyclohexyl-N-ethyl-2-prop-1-en-2-ylbut-2-enamide (CID 143682339) is (E)-N-cyclohexyl-N-ethyl-2-prop-1-en-2-ylbut-2-enamide.
What is the SMILES notation for (E)-N-cyclohexyl-N-ethyl-2-prop-1-en-2-ylbut-2-enamide?
The canonical SMILES for (E)-N-cyclohexyl-N-ethyl-2-prop-1-en-2-ylbut-2-enamide is C=C(C)/C(=C\C)C(=O)N(CC)C1CCCCC1.
What is the InChIKey of (E)-N-cyclohexyl-N-ethyl-2-prop-1-en-2-ylbut-2-enamide?
The InChIKey is PPACVDIPMRBBBK-LHHJGKSTSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-14(12(3)4)15(17)16(6-2)13-10-8-7-9-11-13/h5,13H,3,6-11H2,1-2,4H3/b14-5+.
What are the key properties of (E)-N-cyclohexyl-N-ethyl-2-prop-1-en-2-ylbut-2-enamide?
(E)-N-cyclohexyl-N-ethyl-2-prop-1-en-2-ylbut-2-enamide has a molecular weight of 235.37 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclohexyl-N-ethyl-2-prop-1-en-2-ylbut-2-enamide is sourced from PubChem (CID 143682339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).