(E)-2,4,4-trimethyl-N-phenylpent-2-enamide

C14H19NO — CID 14383795

IUPAC(E)-2,4,4-trimethyl-N-phenylpent-2-enamide
SMILESC/C(=C\C(C)(C)C)C(=O)Nc1ccccc1
InChIInChI=1S/C14H19NO/c1-11(10-14(2,3)4)13(16)15-12-8-6-5-7-9-12/h5-10H,1-4H3,(H,15,16)/b11-10+
InChIKeyJDEKSKIHFBATAN-ZHACJKMWSA-N
MW217.31 g/mol
LogP3.62
Rot. Bonds2

About (E)-2,4,4-trimethyl-N-phenylpent-2-enamide

(E)-2,4,4-trimethyl-N-phenylpent-2-enamide (PubChem CID 14383795) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (E)-2,4,4-trimethyl-N-phenylpent-2-enamide.

Molecular Properties

Compound Name(E)-2,4,4-trimethyl-N-phenylpent-2-enamide
PubChem CID14383795
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(E)-2,4,4-trimethyl-N-phenylpent-2-enamide
SMILESC/C(=C\C(C)(C)C)C(=O)Nc1ccccc1
InChIInChI=1S/C14H19NO/c1-11(10-14(2,3)4)13(16)15-12-8-6-5-7-9-12/h5-10H,1-4H3,(H,15,16)/b11-10+
InChIKeyJDEKSKIHFBATAN-ZHACJKMWSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.62
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

(E)-N',2-dimethyl-N-phenylbut-2-enediamide
CID 69341649
(Z)-N-(4-anilinophenyl)-2-methylpent-2-enamide
CID 60587211
acetyl bromide;N-phenylacetamide
CID 175285562
tert-butyl N-[(E,2S)-5-anilino-4-methyl-5-oxopent-3-en-2-yl]carbamate
CID 15545961
cobalt;N-phenylacetamide
CID 158689050
(Z)-3-methyl-4-oxo-4-(4-phenylanilino)but-2-enoic acid
CID 19133057
(E)-2-methyl-3-(4-phenoxyphenoxy)-N-phenylprop-2-enamide
CID 59498038
N'-(3-acetamidophenyl)-N-phenyloxamide
CID 45001278
(Z)-2-methyl-3-(methylamino)-N-phenylbut-2-enamide
CID 70960210
N'-(3,5-dimethylphenyl)-N-phenyloxamide
CID 44996455
2-methyl-N-(4-phenyldiazenylphenyl)but-2-enamide
CID 175260592
(E,4R,6R)-2,4,6-trimethyl-N-phenyloct-2-enamide
CID 139373069

Frequently Asked Questions

What is the IUPAC name of (E)-2,4,4-trimethyl-N-phenylpent-2-enamide?
The IUPAC name of (E)-2,4,4-trimethyl-N-phenylpent-2-enamide (CID 14383795) is (E)-2,4,4-trimethyl-N-phenylpent-2-enamide.
What is the SMILES notation for (E)-2,4,4-trimethyl-N-phenylpent-2-enamide?
The canonical SMILES for (E)-2,4,4-trimethyl-N-phenylpent-2-enamide is C/C(=C\C(C)(C)C)C(=O)Nc1ccccc1.
What is the InChIKey of (E)-2,4,4-trimethyl-N-phenylpent-2-enamide?
The InChIKey is JDEKSKIHFBATAN-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H19NO/c1-11(10-14(2,3)4)13(16)15-12-8-6-5-7-9-12/h5-10H,1-4H3,(H,15,16)/b11-10+.
What are the key properties of (E)-2,4,4-trimethyl-N-phenylpent-2-enamide?
(E)-2,4,4-trimethyl-N-phenylpent-2-enamide has a molecular weight of 217.31 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,4,4-trimethyl-N-phenylpent-2-enamide is sourced from PubChem (CID 14383795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).