(E,4R,6R)-2,4,6-trimethyl-N-phenyloct-2-enamide

C17H25NO — CID 139373069

IUPAC(E,4R,6R)-2,4,6-trimethyl-N-phenyloct-2-enamide
SMILESCC[C@@H](C)C[C@@H](C)/C=C(\C)C(=O)Nc1ccccc1
InChIInChI=1S/C17H25NO/c1-5-13(2)11-14(3)12-15(4)17(19)18-16-9-7-6-8-10-16/h6-10,12-14H,5,11H2,1-4H3,(H,18,19)/b15-12+/t13-,14-/m1/s1
InChIKeyBBYHPABDZGKKQN-JZMJITHDSA-N
MW259.39 g/mol
LogP4.64
Rot. Bonds6

About (E,4R,6R)-2,4,6-trimethyl-N-phenyloct-2-enamide

(E,4R,6R)-2,4,6-trimethyl-N-phenyloct-2-enamide (PubChem CID 139373069) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (E,4R,6R)-2,4,6-trimethyl-N-phenyloct-2-enamide.

Molecular Properties

Compound Name(E,4R,6R)-2,4,6-trimethyl-N-phenyloct-2-enamide
PubChem CID139373069
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(E,4R,6R)-2,4,6-trimethyl-N-phenyloct-2-enamide
SMILESCC[C@@H](C)C[C@@H](C)/C=C(\C)C(=O)Nc1ccccc1
InChIInChI=1S/C17H25NO/c1-5-13(2)11-14(3)12-15(4)17(19)18-16-9-7-6-8-10-16/h6-10,12-14H,5,11H2,1-4H3,(H,18,19)/b15-12+/t13-,14-/m1/s1
InChIKeyBBYHPABDZGKKQN-JZMJITHDSA-N
XLogP4.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.64
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

(Z)-N-(4-anilinophenyl)-2-methylpent-2-enamide
CID 60587211
N-(4-butan-2-ylphenyl)-2-methyl-3-phenylprop-2-enamide
CID 4119628
tert-butyl N-[(E,2S)-5-anilino-4-methyl-5-oxopent-3-en-2-yl]carbamate
CID 15545961
(E)-2,4,4-trimethyl-N-phenylpent-2-enamide
CID 14383795
3-(2-methylbutylamino)-N-phenylbutanamide
CID 114244260
4-methyl-2-methylidene-N-phenylpent-4-enamide
CID 53236011
(E)-N',2-dimethyl-N-phenylbut-2-enediamide
CID 69341649
(3S)-3-methyl-N-(phenylcarbamoyl)pentanamide
CID 12951440
N',N'-diethyl-N-phenyloxamide
CID 14925038
1-[4-(butan-2-ylamino)phenyl]-3-phenylurea
CID 112980502
N-[4-(butan-2-ylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide
CID 4053661
2-(diethylamino)-N-phenyl-2-sulfanylideneacetamide
CID 4517186

Frequently Asked Questions

What is the IUPAC name of (E,4R,6R)-2,4,6-trimethyl-N-phenyloct-2-enamide?
The IUPAC name of (E,4R,6R)-2,4,6-trimethyl-N-phenyloct-2-enamide (CID 139373069) is (E,4R,6R)-2,4,6-trimethyl-N-phenyloct-2-enamide.
What is the SMILES notation for (E,4R,6R)-2,4,6-trimethyl-N-phenyloct-2-enamide?
The canonical SMILES for (E,4R,6R)-2,4,6-trimethyl-N-phenyloct-2-enamide is CC[C@@H](C)C[C@@H](C)/C=C(\C)C(=O)Nc1ccccc1.
What is the InChIKey of (E,4R,6R)-2,4,6-trimethyl-N-phenyloct-2-enamide?
The InChIKey is BBYHPABDZGKKQN-JZMJITHDSA-N. The full InChI is InChI=1S/C17H25NO/c1-5-13(2)11-14(3)12-15(4)17(19)18-16-9-7-6-8-10-16/h6-10,12-14H,5,11H2,1-4H3,(H,18,19)/b15-12+/t13-,14-/m1/s1.
What are the key properties of (E,4R,6R)-2,4,6-trimethyl-N-phenyloct-2-enamide?
(E,4R,6R)-2,4,6-trimethyl-N-phenyloct-2-enamide has a molecular weight of 259.39 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R,6R)-2,4,6-trimethyl-N-phenyloct-2-enamide is sourced from PubChem (CID 139373069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).