(Z)-4-amino-5-[(4-ethyl-2-methylphenyl)methylamino]pent-4-ene-2,3-dione;ethane

C17H26N2O2 — CID 143345198

IUPAC(Z)-4-amino-5-[(4-ethyl-2-methylphenyl)methylamino]pent-4-ene-2,3-dione;ethane
SMILESCC.CCc1ccc(CN/C=C(\N)C(=O)C(C)=O)c(C)c1
InChIInChI=1S/C15H20N2O2.C2H6/c1-4-12-5-6-13(10(2)7-12)8-17-9-14(16)15(19)11(3)18;1-2/h5-7,9,17H,4,8,16H2,1-3H3;1-2H3/b14-9-;
InChIKeyOLQNRTJCQHSJLF-WQRRWHLMSA-N
MW290.41 g/mol
LogP2.63
Rot. Bonds6

About (Z)-4-amino-5-[(4-ethyl-2-methylphenyl)methylamino]pent-4-ene-2,3-dione;ethane

(Z)-4-amino-5-[(4-ethyl-2-methylphenyl)methylamino]pent-4-ene-2,3-dione;ethane (PubChem CID 143345198) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (Z)-4-amino-5-[(4-ethyl-2-methylphenyl)methylamino]pent-4-ene-2,3-dione;ethane.

Molecular Properties

Compound Name(Z)-4-amino-5-[(4-ethyl-2-methylphenyl)methylamino]pent-4-ene-2,3-dione;ethane
PubChem CID143345198
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(Z)-4-amino-5-[(4-ethyl-2-methylphenyl)methylamino]pent-4-ene-2,3-dione;ethane
SMILESCC.CCc1ccc(CN/C=C(\N)C(=O)C(C)=O)c(C)c1
InChIInChI=1S/C15H20N2O2.C2H6/c1-4-12-5-6-13(10(2)7-12)8-17-9-14(16)15(19)11(3)18;1-2/h5-7,9,17H,4,8,16H2,1-3H3;1-2H3/b14-9-;
InChIKeyOLQNRTJCQHSJLF-WQRRWHLMSA-N
XLogP2.63
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1,4-diethyl-2-methylbenzene;ethane
CID 158451617
acetylene;1,4-diethyl-2-methylbenzene;ethane
CID 143147503
N-[[2-methyl-4-(sulfanylmethyl)phenyl]methyl]formamide
CID 166478207
(Z)-4-amino-5-(6-ethyl-2,3-dihydroindol-1-yl)pent-4-ene-2,3-dione
CID 143345002
4-ethyl-2-methyl-1-pentylbenzene
CID 143596455
4-ethyl-N-formyl-2-methyl-N-propylbenzamide
CID 143638016
propyl 2,5-diethylbenzoate
CID 22448167
1-[4-(bromomethyl)-3-methylphenyl]propan-2-one
CID 131190669
3-(4-ethyl-3-methylphenyl)-2-methylpropanoic acid
CID 117295148
1-[2-(2-aminoethyl)-5-ethylphenyl]ethanone
CID 143344931
4-[(3-ethylpentan-3-ylamino)methyl]-3-methylbenzamide
CID 114480428
(2,5-diethylbenzoyl) 2,5-diethylbenzoate
CID 150438529

Frequently Asked Questions

What is the IUPAC name of (Z)-4-amino-5-[(4-ethyl-2-methylphenyl)methylamino]pent-4-ene-2,3-dione;ethane?
The IUPAC name of (Z)-4-amino-5-[(4-ethyl-2-methylphenyl)methylamino]pent-4-ene-2,3-dione;ethane (CID 143345198) is (Z)-4-amino-5-[(4-ethyl-2-methylphenyl)methylamino]pent-4-ene-2,3-dione;ethane.
What is the SMILES notation for (Z)-4-amino-5-[(4-ethyl-2-methylphenyl)methylamino]pent-4-ene-2,3-dione;ethane?
The canonical SMILES for (Z)-4-amino-5-[(4-ethyl-2-methylphenyl)methylamino]pent-4-ene-2,3-dione;ethane is CC.CCc1ccc(CN/C=C(\N)C(=O)C(C)=O)c(C)c1.
What is the InChIKey of (Z)-4-amino-5-[(4-ethyl-2-methylphenyl)methylamino]pent-4-ene-2,3-dione;ethane?
The InChIKey is OLQNRTJCQHSJLF-WQRRWHLMSA-N. The full InChI is InChI=1S/C15H20N2O2.C2H6/c1-4-12-5-6-13(10(2)7-12)8-17-9-14(16)15(19)11(3)18;1-2/h5-7,9,17H,4,8,16H2,1-3H3;1-2H3/b14-9-;.
What are the key properties of (Z)-4-amino-5-[(4-ethyl-2-methylphenyl)methylamino]pent-4-ene-2,3-dione;ethane?
(Z)-4-amino-5-[(4-ethyl-2-methylphenyl)methylamino]pent-4-ene-2,3-dione;ethane has a molecular weight of 290.41 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-5-[(4-ethyl-2-methylphenyl)methylamino]pent-4-ene-2,3-dione;ethane is sourced from PubChem (CID 143345198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).