(Z)-4-methyl-6-(2-methylphenyl)-4-(2-methylprop-2-enylamino)oct-6-en-3-one

C20H29NO — CID 142003040

IUPAC(Z)-4-methyl-6-(2-methylphenyl)-4-(2-methylprop-2-enylamino)oct-6-en-3-one
SMILESC=C(C)CNC(C)(C/C(=C/C)c1ccccc1C)C(=O)CC
InChIInChI=1S/C20H29NO/c1-7-17(18-12-10-9-11-16(18)5)13-20(6,19(22)8-2)21-14-15(3)4/h7,9-12,21H,3,8,13-14H2,1-2,4-6H3/b17-7-
InChIKeyWFUYOXWDVQQUIK-IDUWFGFVSA-N
MW299.46 g/mol
LogP4.69
Rot. Bonds8

About (Z)-4-methyl-6-(2-methylphenyl)-4-(2-methylprop-2-enylamino)oct-6-en-3-one

(Z)-4-methyl-6-(2-methylphenyl)-4-(2-methylprop-2-enylamino)oct-6-en-3-one (PubChem CID 142003040) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is (Z)-4-methyl-6-(2-methylphenyl)-4-(2-methylprop-2-enylamino)oct-6-en-3-one.

Molecular Properties

Compound Name(Z)-4-methyl-6-(2-methylphenyl)-4-(2-methylprop-2-enylamino)oct-6-en-3-one
PubChem CID142003040
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC Name(Z)-4-methyl-6-(2-methylphenyl)-4-(2-methylprop-2-enylamino)oct-6-en-3-one
SMILESC=C(C)CNC(C)(C/C(=C/C)c1ccccc1C)C(=O)CC
InChIInChI=1S/C20H29NO/c1-7-17(18-12-10-9-11-16(18)5)13-20(6,19(22)8-2)21-14-15(3)4/h7,9-12,21H,3,8,13-14H2,1-2,4-6H3/b17-7-
InChIKeyWFUYOXWDVQQUIK-IDUWFGFVSA-N
XLogP4.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 10059880
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CID 71216786
(E)-5,5,5-trifluoro-3-(2-methylphenyl)pent-2-enoic acid
CID 82534474
1-(2-methylphenyl)butane-1,2-dione
CID 69199618
(5Z)-N-ethyl-3-methyl-5-(2-methylphenyl)hepta-1,5-dien-2-amine
CID 171560882
ethane;1-(2-methylphenyl)ethanone;prop-1-ene
CID 171517790
2-methyl-2-[(2-methylphenyl)methylamino]propanoic acid
CID 18980609
(Z)-2-methyl-4-(2-methylphenyl)hex-4-enamide
CID 142370556
(Z)-N,N-dimethyl-3-(2-methylphenyl)pent-3-en-1-amine
CID 167306993
1-[(2Z,4E)-5,7-dimethylocta-2,4,7-trien-4-yl]-2-methylbenzene;ethane
CID 144660459
2-methyl-N-(4-methylhepta-1,6-dien-4-yl)benzamide
CID 35211952
1-(2-methylphenyl)-2-(prop-2-enylamino)ethanone
CID 116589872

Frequently Asked Questions

What is the IUPAC name of (Z)-4-methyl-6-(2-methylphenyl)-4-(2-methylprop-2-enylamino)oct-6-en-3-one?
The IUPAC name of (Z)-4-methyl-6-(2-methylphenyl)-4-(2-methylprop-2-enylamino)oct-6-en-3-one (CID 142003040) is (Z)-4-methyl-6-(2-methylphenyl)-4-(2-methylprop-2-enylamino)oct-6-en-3-one.
What is the SMILES notation for (Z)-4-methyl-6-(2-methylphenyl)-4-(2-methylprop-2-enylamino)oct-6-en-3-one?
The canonical SMILES for (Z)-4-methyl-6-(2-methylphenyl)-4-(2-methylprop-2-enylamino)oct-6-en-3-one is C=C(C)CNC(C)(C/C(=C/C)c1ccccc1C)C(=O)CC.
What is the InChIKey of (Z)-4-methyl-6-(2-methylphenyl)-4-(2-methylprop-2-enylamino)oct-6-en-3-one?
The InChIKey is WFUYOXWDVQQUIK-IDUWFGFVSA-N. The full InChI is InChI=1S/C20H29NO/c1-7-17(18-12-10-9-11-16(18)5)13-20(6,19(22)8-2)21-14-15(3)4/h7,9-12,21H,3,8,13-14H2,1-2,4-6H3/b17-7-.
What are the key properties of (Z)-4-methyl-6-(2-methylphenyl)-4-(2-methylprop-2-enylamino)oct-6-en-3-one?
(Z)-4-methyl-6-(2-methylphenyl)-4-(2-methylprop-2-enylamino)oct-6-en-3-one has a molecular weight of 299.46 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyl-6-(2-methylphenyl)-4-(2-methylprop-2-enylamino)oct-6-en-3-one is sourced from PubChem (CID 142003040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).