(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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Related Compounds

(Z)-3-[(4-acetamidooxy-3-methoxybutyl)-methylamino]-N-formylprop-2-enamide
CID 167509210
acetic acid;2-methoxyhexan-1-ol
CID 71318556
(E)-3-(dimethylamino)-N,2-diformylprop-2-enamide
CID 42644716
(Z)-N-formyl-3-[[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-2-methylprop-2-enamide
CID 178052092
[4-[[(Z)-3-formamido-3-oxoprop-1-enyl]-methylamino]-2-methoxybutyl] (2-formylphenyl)methyl hydrogen phosphite
CID 155241399
(Z)-3-(dimethylamino)-N-formyl-2-methylprop-2-enamide;propan-2-yl 2-[[2-(2,2-dimethylpropanoylsulfanyl)ethoxy-(3-fluoro-2-methoxypropoxy)phosphoryl]amino]propanoate
CID 144853907
N-[amino-[2-[(4-hydroxy-3-methoxybutyl)-methylamino]phenyl]methylidene]formamide;methanol
CID 167508791
2-methoxyhexan-1-ol
CID 12754599
5,6-dimethoxyhexan-2-one
CID 89027763
(2S)-2-amino-7-hydroxy-6-methoxyheptanoic acid
CID 58488948
2-methoxyoctadecane-1,18-diol
CID 139894208
3-(ethylamino)-2-methoxypropan-1-ol
CID 135215408

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).