(Z)-2-ethyl-3-iodo-N-phenylpent-2-enamide

C13H16INO — CID 101265645

IUPAC(Z)-2-ethyl-3-iodo-N-phenylpent-2-enamide
SMILESCC/C(I)=C(\CC)C(=O)Nc1ccccc1
InChIInChI=1S/C13H16INO/c1-3-11(12(14)4-2)13(16)15-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,15,16)/b12-11-
InChIKeyRMAPVNJQKAOFCS-QXMHVHEDSA-N
MW329.18 g/mol
LogP4.13
Rot. Bonds4

About (Z)-2-ethyl-3-iodo-N-phenylpent-2-enamide

(Z)-2-ethyl-3-iodo-N-phenylpent-2-enamide (PubChem CID 101265645) has the molecular formula C13H16INO and a molecular weight of 329.18 g/mol. Its IUPAC name is (Z)-2-ethyl-3-iodo-N-phenylpent-2-enamide.

Molecular Properties

Compound Name(Z)-2-ethyl-3-iodo-N-phenylpent-2-enamide
PubChem CID101265645
Molecular FormulaC13H16INO
Molecular Weight329.18 g/mol
Exact Mass329.03
IUPAC Name(Z)-2-ethyl-3-iodo-N-phenylpent-2-enamide
SMILESCC/C(I)=C(\CC)C(=O)Nc1ccccc1
InChIInChI=1S/C13H16INO/c1-3-11(12(14)4-2)13(16)15-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,15,16)/b12-11-
InChIKeyRMAPVNJQKAOFCS-QXMHVHEDSA-N
XLogP4.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;methane;N-phenylpropanamide
CID 159778408
N'-phenyl-N-propyloxamide
CID 2291438
N',N'-diethyl-N-phenyloxamide
CID 14925038
2-(diethylamino)-N-phenyl-2-sulfanylideneacetamide
CID 4517186
4-anilino-3,4-dioxobutanoic acid
CID 67355795
4-methyl-2-methylidene-N-phenylpent-4-enamide
CID 53236011
N-butyl-N'-phenyloxamide
CID 2290889
N'-hydroxy-N-phenyloxamide
CID 5008441
2-anilino-N-phenylprop-2-enamide
CID 20522355
potassium 2-anilino-2-oxoacetate
CID 23690423
N-[2-(2-anilino-2-oxoacetyl)phenyl]propanamide
CID 2195525
N-methylethanamine;N-phenylacetamide
CID 156841550

Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethyl-3-iodo-N-phenylpent-2-enamide?
The IUPAC name of (Z)-2-ethyl-3-iodo-N-phenylpent-2-enamide (CID 101265645) is (Z)-2-ethyl-3-iodo-N-phenylpent-2-enamide.
What is the SMILES notation for (Z)-2-ethyl-3-iodo-N-phenylpent-2-enamide?
The canonical SMILES for (Z)-2-ethyl-3-iodo-N-phenylpent-2-enamide is CC/C(I)=C(\CC)C(=O)Nc1ccccc1.
What is the InChIKey of (Z)-2-ethyl-3-iodo-N-phenylpent-2-enamide?
The InChIKey is RMAPVNJQKAOFCS-QXMHVHEDSA-N. The full InChI is InChI=1S/C13H16INO/c1-3-11(12(14)4-2)13(16)15-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,15,16)/b12-11-.
What are the key properties of (Z)-2-ethyl-3-iodo-N-phenylpent-2-enamide?
(Z)-2-ethyl-3-iodo-N-phenylpent-2-enamide has a molecular weight of 329.18 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethyl-3-iodo-N-phenylpent-2-enamide is sourced from PubChem (CID 101265645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).