(Z)-N-[3-[[1-(2,2-dimethylpropoxy)-2-methylpropan-2-yl]amino]-3-oxopropyl]-N-methyl-4-oxobut-2-enamide

C17H30N2O4 — CID 170966519

IUPAC(Z)-N-[3-[[1-(2,2-dimethylpropoxy)-2-methylpropan-2-yl]amino]-3-oxopropyl]-N-methyl-4-oxobut-2-enamide
SMILESCN(CCC(=O)NC(C)(C)COCC(C)(C)C)C(=O)/C=C\C=O
InChIInChI=1S/C17H30N2O4/c1-16(2,3)12-23-13-17(4,5)18-14(21)9-10-19(6)15(22)8-7-11-20/h7-8,11H,9-10,12-13H2,1-6H3,(H,18,21)/b8-7-
InChIKeySPJPLYRSVKDVMT-FPLPWBNLSA-N
MW326.44 g/mol
LogP1.55
Rot. Bonds9

About (Z)-N-[3-[[1-(2,2-dimethylpropoxy)-2-methylpropan-2-yl]amino]-3-oxopropyl]-N-methyl-4-oxobut-2-enamide

(Z)-N-[3-[[1-(2,2-dimethylpropoxy)-2-methylpropan-2-yl]amino]-3-oxopropyl]-N-methyl-4-oxobut-2-enamide (PubChem CID 170966519) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is (Z)-N-[3-[[1-(2,2-dimethylpropoxy)-2-methylpropan-2-yl]amino]-3-oxopropyl]-N-methyl-4-oxobut-2-enamide.

Molecular Properties

Compound Name(Z)-N-[3-[[1-(2,2-dimethylpropoxy)-2-methylpropan-2-yl]amino]-3-oxopropyl]-N-methyl-4-oxobut-2-enamide
PubChem CID170966519
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Name(Z)-N-[3-[[1-(2,2-dimethylpropoxy)-2-methylpropan-2-yl]amino]-3-oxopropyl]-N-methyl-4-oxobut-2-enamide
SMILESCN(CCC(=O)NC(C)(C)COCC(C)(C)C)C(=O)/C=C\C=O
InChIInChI=1S/C17H30N2O4/c1-16(2,3)12-23-13-17(4,5)18-14(21)9-10-19(6)15(22)8-7-11-20/h7-8,11H,9-10,12-13H2,1-6H3,(H,18,21)/b8-7-
InChIKeySPJPLYRSVKDVMT-FPLPWBNLSA-N
XLogP1.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-N-[3-[[1-(2,2-dimethylpropoxy)-2-methylpropan-2-yl]amino]-3-oxopropyl]-N-methyl-4-oxobut-2-enamide with MolForge

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Launch Full Analysis

Related Compounds

(Z)-N-methyl-N-[3-[[2-methyl-3-(2-methylpent-4-yn-2-yl)oxiran-2-yl]amino]-3-oxopropyl]-4-oxobut-2-enamide
CID 144514986
ethane;methanamine;6-[methyl-[(Z)-4-oxobut-2-enoyl]amino]-N-(2-oxoethyl)hexanamide
CID 177148979
3-(dimethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 3024639
(2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[2-methyl-4-[3-[methyl-[(Z)-4-oxobut-2-enoyl]amino]propanoylamino]butan-2-yl]oxybutanoate
CID 134221525
N-[2-[methyl-[(Z)-4-oxobut-2-enoyl]amino]ethyl]-N'-[(2S)-1-oxopropan-2-yl]hexanediamide
CID 145224405
2-methyl-2-[3-[[methyl-[[3-[(2-methyl-1-sulfopropan-2-yl)amino]-3-oxopropoxy]methyl]amino]methoxy]propanoylamino]propane-1-sulfonic acid
CID 101427005
hexane;(Z)-N-methyl-4-oxo-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]but-2-enamide
CID 143366489
3-formyl-N-[3-(2-hydroxy-2-methylpent-4-enoxy)-2,2-dimethylpropyl]-5-[6-[methyl-[(Z)-4-oxobut-2-enoyl]amino]hexanoylamino]benzamide
CID 154643253
(2,5-dioxopyrrolidin-1-yl) 3-[2-[methyl-[(Z)-4-oxobut-2-enoyl]amino]ethyl-methylsulfonylamino]propanoate
CID 166854633
(Z)-N,N'-dimethyl-4-oxobut-2-enehydrazide
CID 138706048
4-[methoxy(methyl)amino]pent-4-enal;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide
CID 142369721
(2,5-dioxopyrrolidin-1-yl) 2,2-dimethyl-4-[2-methyl-4-[4-[methyl-[(Z)-4-oxobut-2-enoyl]amino]butanoylamino]butan-2-yl]oxybutanoate
CID 143320996

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[3-[[1-(2,2-dimethylpropoxy)-2-methylpropan-2-yl]amino]-3-oxopropyl]-N-methyl-4-oxobut-2-enamide?
The IUPAC name of (Z)-N-[3-[[1-(2,2-dimethylpropoxy)-2-methylpropan-2-yl]amino]-3-oxopropyl]-N-methyl-4-oxobut-2-enamide (CID 170966519) is (Z)-N-[3-[[1-(2,2-dimethylpropoxy)-2-methylpropan-2-yl]amino]-3-oxopropyl]-N-methyl-4-oxobut-2-enamide.
What is the SMILES notation for (Z)-N-[3-[[1-(2,2-dimethylpropoxy)-2-methylpropan-2-yl]amino]-3-oxopropyl]-N-methyl-4-oxobut-2-enamide?
The canonical SMILES for (Z)-N-[3-[[1-(2,2-dimethylpropoxy)-2-methylpropan-2-yl]amino]-3-oxopropyl]-N-methyl-4-oxobut-2-enamide is CN(CCC(=O)NC(C)(C)COCC(C)(C)C)C(=O)/C=C\C=O.
What is the InChIKey of (Z)-N-[3-[[1-(2,2-dimethylpropoxy)-2-methylpropan-2-yl]amino]-3-oxopropyl]-N-methyl-4-oxobut-2-enamide?
The InChIKey is SPJPLYRSVKDVMT-FPLPWBNLSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-16(2,3)12-23-13-17(4,5)18-14(21)9-10-19(6)15(22)8-7-11-20/h7-8,11H,9-10,12-13H2,1-6H3,(H,18,21)/b8-7-.
What are the key properties of (Z)-N-[3-[[1-(2,2-dimethylpropoxy)-2-methylpropan-2-yl]amino]-3-oxopropyl]-N-methyl-4-oxobut-2-enamide?
(Z)-N-[3-[[1-(2,2-dimethylpropoxy)-2-methylpropan-2-yl]amino]-3-oxopropyl]-N-methyl-4-oxobut-2-enamide has a molecular weight of 326.44 g/mol, XLogP of 1.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[3-[[1-(2,2-dimethylpropoxy)-2-methylpropan-2-yl]amino]-3-oxopropyl]-N-methyl-4-oxobut-2-enamide is sourced from PubChem (CID 170966519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).