(Z)-N-formyl-3-[(4-hydroxy-3-methoxybutyl)-methylamino]-2-methylprop-2-enamide

C11H20N2O4 — CID 145471178

IUPAC(Z)-N-formyl-3-[(4-hydroxy-3-methoxybutyl)-methylamino]-2-methylprop-2-enamide
SMILESCOC(CO)CCN(C)/C=C(/C)C(=O)NC=O
InChIInChI=1S/C11H20N2O4/c1-9(11(16)12-8-15)6-13(2)5-4-10(7-14)17-3/h6,8,10,14H,4-5,7H2,1-3H3,(H,12,15,16)/b9-6-
InChIKeyXJCZZVHWLYMTJI-TWGQIWQCSA-N
MW244.29 g/mol
LogP-0.51
Rot. Bonds8

About (Z)-N-formyl-3-[(4-hydroxy-3-methoxybutyl)-methylamino]-2-methylprop-2-enamide

(Z)-N-formyl-3-[(4-hydroxy-3-methoxybutyl)-methylamino]-2-methylprop-2-enamide (PubChem CID 145471178) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (Z)-N-formyl-3-[(4-hydroxy-3-methoxybutyl)-methylamino]-2-methylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-formyl-3-[(4-hydroxy-3-methoxybutyl)-methylamino]-2-methylprop-2-enamide
PubChem CID145471178
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(Z)-N-formyl-3-[(4-hydroxy-3-methoxybutyl)-methylamino]-2-methylprop-2-enamide
SMILESCOC(CO)CCN(C)/C=C(/C)C(=O)NC=O
InChIInChI=1S/C11H20N2O4/c1-9(11(16)12-8-15)6-13(2)5-4-10(7-14)17-3/h6,8,10,14H,4-5,7H2,1-3H3,(H,12,15,16)/b9-6-
InChIKeyXJCZZVHWLYMTJI-TWGQIWQCSA-N
XLogP-0.51
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-formyl-3-[(4-hydroxy-3-methoxybutyl)-methylamino]-2-methylprop-2-enamide?
The IUPAC name of (Z)-N-formyl-3-[(4-hydroxy-3-methoxybutyl)-methylamino]-2-methylprop-2-enamide (CID 145471178) is (Z)-N-formyl-3-[(4-hydroxy-3-methoxybutyl)-methylamino]-2-methylprop-2-enamide.
What is the SMILES notation for (Z)-N-formyl-3-[(4-hydroxy-3-methoxybutyl)-methylamino]-2-methylprop-2-enamide?
The canonical SMILES for (Z)-N-formyl-3-[(4-hydroxy-3-methoxybutyl)-methylamino]-2-methylprop-2-enamide is COC(CO)CCN(C)/C=C(/C)C(=O)NC=O.
What is the InChIKey of (Z)-N-formyl-3-[(4-hydroxy-3-methoxybutyl)-methylamino]-2-methylprop-2-enamide?
The InChIKey is XJCZZVHWLYMTJI-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-9(11(16)12-8-15)6-13(2)5-4-10(7-14)17-3/h6,8,10,14H,4-5,7H2,1-3H3,(H,12,15,16)/b9-6-.
What are the key properties of (Z)-N-formyl-3-[(4-hydroxy-3-methoxybutyl)-methylamino]-2-methylprop-2-enamide?
(Z)-N-formyl-3-[(4-hydroxy-3-methoxybutyl)-methylamino]-2-methylprop-2-enamide has a molecular weight of 244.29 g/mol, XLogP of -0.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-formyl-3-[(4-hydroxy-3-methoxybutyl)-methylamino]-2-methylprop-2-enamide is sourced from PubChem (CID 145471178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).