(Z)-3-[formyl-(1-hydroxy-3-methoxybutyl)amino]-N-methylprop-2-enamide

C10H18N2O4 — CID 143719526

IUPAC(Z)-3-[formyl-(1-hydroxy-3-methoxybutyl)amino]-N-methylprop-2-enamide
SMILESCNC(=O)/C=C\N(C=O)C(O)CC(C)OC
InChIInChI=1S/C10H18N2O4/c1-8(16-3)6-10(15)12(7-13)5-4-9(14)11-2/h4-5,7-8,10,15H,6H2,1-3H3,(H,11,14)/b5-4-
InChIKeyMJYILCIRQVYXQT-PLNGDYQASA-N
MW230.26 g/mol
LogP-0.55
Rot. Bonds7

About (Z)-3-[formyl-(1-hydroxy-3-methoxybutyl)amino]-N-methylprop-2-enamide

(Z)-3-[formyl-(1-hydroxy-3-methoxybutyl)amino]-N-methylprop-2-enamide (PubChem CID 143719526) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (Z)-3-[formyl-(1-hydroxy-3-methoxybutyl)amino]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[formyl-(1-hydroxy-3-methoxybutyl)amino]-N-methylprop-2-enamide
PubChem CID143719526
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(Z)-3-[formyl-(1-hydroxy-3-methoxybutyl)amino]-N-methylprop-2-enamide
SMILESCNC(=O)/C=C\N(C=O)C(O)CC(C)OC
InChIInChI=1S/C10H18N2O4/c1-8(16-3)6-10(15)12(7-13)5-4-9(14)11-2/h4-5,7-8,10,15H,6H2,1-3H3,(H,11,14)/b5-4-
InChIKeyMJYILCIRQVYXQT-PLNGDYQASA-N
XLogP-0.55
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

acetylene;tert-butyl (2S,4S)-4-[formyl-[(Z)-3-(methylamino)-3-oxoprop-1-enyl]amino]-2-methoxypentanoate;ethane;2-methoxypropan-2-ol
CID 145045781
3-(2-methoxypropyl)-N,N'-dimethylpentanediamide
CID 141238561
(Z)-3-[formyl-[4-hydroxy-3-(hydroxymethyl)butyl]amino]-N-methylprop-2-enamide
CID 142186690
methane;methyl (Z)-4-(methylamino)-4-oxobut-2-enoate
CID 162090264
N,N'-dimethylbut-2-enediamide
CID 54344026
(2R,4S)-4-methoxypentan-2-ol
CID 59003340
(E)-2-fluoro-3-[formyl-[(3R)-3-methoxybutyl]amino]-N-methylprop-2-enamide
CID 139341096
3-(2-methoxypropylamino)-N,2,2-trimethylpropanamide
CID 106276968
2-(aminomethyl)-4-methoxypentanal
CID 142040196
(2Z,4Z)-N,N'-dimethylhexa-2,4-dienediamide
CID 102438921
(E)-4-cyclohexyl-N-methylbut-2-enamide
CID 162387728
4-(methylamino)-4-oxobut-2-enoyl chloride
CID 91428826

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[formyl-(1-hydroxy-3-methoxybutyl)amino]-N-methylprop-2-enamide?
The IUPAC name of (Z)-3-[formyl-(1-hydroxy-3-methoxybutyl)amino]-N-methylprop-2-enamide (CID 143719526) is (Z)-3-[formyl-(1-hydroxy-3-methoxybutyl)amino]-N-methylprop-2-enamide.
What is the SMILES notation for (Z)-3-[formyl-(1-hydroxy-3-methoxybutyl)amino]-N-methylprop-2-enamide?
The canonical SMILES for (Z)-3-[formyl-(1-hydroxy-3-methoxybutyl)amino]-N-methylprop-2-enamide is CNC(=O)/C=C\N(C=O)C(O)CC(C)OC.
What is the InChIKey of (Z)-3-[formyl-(1-hydroxy-3-methoxybutyl)amino]-N-methylprop-2-enamide?
The InChIKey is MJYILCIRQVYXQT-PLNGDYQASA-N. The full InChI is InChI=1S/C10H18N2O4/c1-8(16-3)6-10(15)12(7-13)5-4-9(14)11-2/h4-5,7-8,10,15H,6H2,1-3H3,(H,11,14)/b5-4-.
What are the key properties of (Z)-3-[formyl-(1-hydroxy-3-methoxybutyl)amino]-N-methylprop-2-enamide?
(Z)-3-[formyl-(1-hydroxy-3-methoxybutyl)amino]-N-methylprop-2-enamide has a molecular weight of 230.26 g/mol, XLogP of -0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[formyl-(1-hydroxy-3-methoxybutyl)amino]-N-methylprop-2-enamide is sourced from PubChem (CID 143719526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).