(E)-N-cyclohexyl-N-ethylhex-2-enamide

C14H25NO — CID 26794549

IUPAC(E)-N-cyclohexyl-N-ethylhex-2-enamide
SMILESCCC/C=C/C(=O)N(CC)C1CCCCC1
InChIInChI=1S/C14H25NO/c1-3-5-7-12-14(16)15(4-2)13-10-8-6-9-11-13/h7,12-13H,3-6,8-11H2,1-2H3/b12-7+
InChIKeyYYYPDPFWNYDVCA-KPKJPENVSA-N
MW223.36 g/mol
LogP3.52
Rot. Bonds5

About (E)-N-cyclohexyl-N-ethylhex-2-enamide

(E)-N-cyclohexyl-N-ethylhex-2-enamide (PubChem CID 26794549) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (E)-N-cyclohexyl-N-ethylhex-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclohexyl-N-ethylhex-2-enamide
PubChem CID26794549
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(E)-N-cyclohexyl-N-ethylhex-2-enamide
SMILESCCC/C=C/C(=O)N(CC)C1CCCCC1
InChIInChI=1S/C14H25NO/c1-3-5-7-12-14(16)15(4-2)13-10-8-6-9-11-13/h7,12-13H,3-6,8-11H2,1-2H3/b12-7+
InChIKeyYYYPDPFWNYDVCA-KPKJPENVSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclohexyl-N-ethylhex-2-enamide?
The IUPAC name of (E)-N-cyclohexyl-N-ethylhex-2-enamide (CID 26794549) is (E)-N-cyclohexyl-N-ethylhex-2-enamide.
What is the SMILES notation for (E)-N-cyclohexyl-N-ethylhex-2-enamide?
The canonical SMILES for (E)-N-cyclohexyl-N-ethylhex-2-enamide is CCC/C=C/C(=O)N(CC)C1CCCCC1.
What is the InChIKey of (E)-N-cyclohexyl-N-ethylhex-2-enamide?
The InChIKey is YYYPDPFWNYDVCA-KPKJPENVSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-5-7-12-14(16)15(4-2)13-10-8-6-9-11-13/h7,12-13H,3-6,8-11H2,1-2H3/b12-7+.
What are the key properties of (E)-N-cyclohexyl-N-ethylhex-2-enamide?
(E)-N-cyclohexyl-N-ethylhex-2-enamide has a molecular weight of 223.36 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclohexyl-N-ethylhex-2-enamide is sourced from PubChem (CID 26794549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).