4-[methoxy(methyl)amino]pent-4-enal;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide

C18H30N2O5 — CID 142369721

IUPAC4-[methoxy(methyl)amino]pent-4-enal;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide
SMILESC=C(CCC=O)N(C)OC.CN(CCCCCC=O)C(=O)/C=C\C=O
InChIInChI=1S/C11H17NO3.C7H13NO2/c1-12(11(15)7-6-10-14)8-4-2-3-5-9-13;1-7(5-4-6-9)8(2)10-3/h6-7,9-10H,2-5,8H2,1H3;6H,1,4-5H2,2-3H3/b7-6-;
InChIKeyGVMSXNYEAIRJNB-NAFXZHHSSA-N
MW354.45 g/mol
LogP1.93
Rot. Bonds13

About 4-[methoxy(methyl)amino]pent-4-enal;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide

4-[methoxy(methyl)amino]pent-4-enal;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide (PubChem CID 142369721) has the molecular formula C18H30N2O5 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-[methoxy(methyl)amino]pent-4-enal;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide.

Molecular Properties

Compound Name4-[methoxy(methyl)amino]pent-4-enal;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide
PubChem CID142369721
Molecular FormulaC18H30N2O5
Molecular Weight354.45 g/mol
Exact Mass354.22
IUPAC Name4-[methoxy(methyl)amino]pent-4-enal;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide
SMILESC=C(CCC=O)N(C)OC.CN(CCCCCC=O)C(=O)/C=C\C=O
InChIInChI=1S/C11H17NO3.C7H13NO2/c1-12(11(15)7-6-10-14)8-4-2-3-5-9-13;1-7(5-4-6-9)8(2)10-3/h6-7,9-10H,2-5,8H2,1H3;6H,1,4-5H2,2-3H3/b7-6-;
InChIKeyGVMSXNYEAIRJNB-NAFXZHHSSA-N
XLogP1.93
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[methoxy(methyl)amino]pent-4-enal;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;methanamine;6-[methyl-[(Z)-4-oxobut-2-enoyl]amino]-N-(2-oxoethyl)hexanamide
CID 177148979
(Z)-N-[6-(2,5-dioxopyrrol-1-yl)hexyl]-N-methyl-4-oxobut-2-enamide
CID 163501013
(Z)-N-methyl-N-[6-(3-methylazetidin-1-yl)-6-oxohexyl]-4-oxobut-2-enamide
CID 145077046
N-[6-[hexa-1,5-dien-2-yl(methyl)amino]hexyl]formamide
CID 155696813
(3-methyl-4-pentan-3-ylcyclopentyl)methyl 6-[methyl-[(Z)-4-oxobut-2-enoyl]amino]hexanoate
CID 134388484
N-methoxy-N-(5-oxopentyl)acetamide
CID 169199563
methanol;3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanal;N-methylmethanamine;(Z)-N-methyl-4-oxo-N-(2-oxoethyl)but-2-enamide
CID 171536039
N-methoxy-N,2-dimethyl-7-oxoheptanamide
CID 139377372
(Z)-N-[5-[[2-[fluoro(methyl)boranyl]-3-pyridinyl]oxy]pentyl]-N-methyl-4-oxobut-2-enamide
CID 142846530
(Z)-N-methyl-N-[2-[2-[2-[2-[2-[2-[3-(3-methylbutan-2-ylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-oxobut-2-enamide
CID 138457788
hexane;(Z)-N-methyl-4-oxo-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]but-2-enamide
CID 143366489
N-[(4S)-4,5-dimethylhexan-3-yl]-N-[[2-[(3-methoxy-5-methylheptan-4-yl)-methylamino]-2-oxoethyl]carbamoyl]-6-[methyl-[(Z)-4-oxobut-2-enoyl]amino]hexanamide
CID 155417979

Frequently Asked Questions

What is the IUPAC name of 4-[methoxy(methyl)amino]pent-4-enal;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide?
The IUPAC name of 4-[methoxy(methyl)amino]pent-4-enal;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide (CID 142369721) is 4-[methoxy(methyl)amino]pent-4-enal;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide.
What is the SMILES notation for 4-[methoxy(methyl)amino]pent-4-enal;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide?
The canonical SMILES for 4-[methoxy(methyl)amino]pent-4-enal;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide is C=C(CCC=O)N(C)OC.CN(CCCCCC=O)C(=O)/C=C\C=O.
What is the InChIKey of 4-[methoxy(methyl)amino]pent-4-enal;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide?
The InChIKey is GVMSXNYEAIRJNB-NAFXZHHSSA-N. The full InChI is InChI=1S/C11H17NO3.C7H13NO2/c1-12(11(15)7-6-10-14)8-4-2-3-5-9-13;1-7(5-4-6-9)8(2)10-3/h6-7,9-10H,2-5,8H2,1H3;6H,1,4-5H2,2-3H3/b7-6-;.
What are the key properties of 4-[methoxy(methyl)amino]pent-4-enal;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide?
4-[methoxy(methyl)amino]pent-4-enal;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide has a molecular weight of 354.45 g/mol, XLogP of 1.93, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methoxy(methyl)amino]pent-4-enal;(Z)-N-methyl-4-oxo-N-(6-oxohexyl)but-2-enamide is sourced from PubChem (CID 142369721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).