2-hydroxy-N-(2-methoxyethyl)-N,N',N'-trimethylbut-2-enediamide

C10H18N2O4 — CID 148721706

IUPAC2-hydroxy-N-(2-methoxyethyl)-N,N',N'-trimethylbut-2-enediamide
SMILESCOCCN(C)C(=O)C(O)=CC(=O)N(C)C
InChIInChI=1S/C10H18N2O4/c1-11(2)9(14)7-8(13)10(15)12(3)5-6-16-4/h7,13H,5-6H2,1-4H3
InChIKeyPQCBTNPTJNLOES-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.38
Rot. Bonds5

About 2-hydroxy-N-(2-methoxyethyl)-N,N',N'-trimethylbut-2-enediamide

2-hydroxy-N-(2-methoxyethyl)-N,N',N'-trimethylbut-2-enediamide (PubChem CID 148721706) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-hydroxy-N-(2-methoxyethyl)-N,N',N'-trimethylbut-2-enediamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-methoxyethyl)-N,N',N'-trimethylbut-2-enediamide
PubChem CID148721706
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-hydroxy-N-(2-methoxyethyl)-N,N',N'-trimethylbut-2-enediamide
SMILESCOCCN(C)C(=O)C(O)=CC(=O)N(C)C
InChIInChI=1S/C10H18N2O4/c1-11(2)9(14)7-8(13)10(15)12(3)5-6-16-4/h7,13H,5-6H2,1-4H3
InChIKeyPQCBTNPTJNLOES-UHFFFAOYSA-N
XLogP-0.38
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxyethyl)-2-hydroxy-N,N',N'-trimethylbut-2-enediamide;bis(2-hydroxy-N-(2-methoxyethyl)-N,N',N'-trimethylbut-2-enediamide);iron
CID 148721705
3-hydroxy-4-[2-methoxyethyl(methyl)amino]-N,N-dimethylpenta-2,4-dienamide
CID 160702435
3-[2-methoxyethyl(methyl)amino]-3-oxopropanoic acid
CID 62230101
acetic acid;2-methoxy-N,N-dimethylethanamine
CID 173078438
4-[2-methoxyethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497960
2-[carboxymethyl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid
CID 63645121
4-[3-methoxypropyl(methyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991887
3-chloro-N-(2-methoxyethyl)-N-methylpropanamide
CID 61040705
2-ethoxy-N-(2-methoxyethyl)-N-methylacetamide
CID 61073231
N-(2-methoxyethyl)-N-methylbut-2-ynamide
CID 131224472
6-[[2-methoxyethyl(methyl)carbamoyl]amino]-6-oxohexanoic acid
CID 61428231
2-hydroxy-3-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylpropanoic acid
CID 66177000

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-methoxyethyl)-N,N',N'-trimethylbut-2-enediamide?
The IUPAC name of 2-hydroxy-N-(2-methoxyethyl)-N,N',N'-trimethylbut-2-enediamide (CID 148721706) is 2-hydroxy-N-(2-methoxyethyl)-N,N',N'-trimethylbut-2-enediamide.
What is the SMILES notation for 2-hydroxy-N-(2-methoxyethyl)-N,N',N'-trimethylbut-2-enediamide?
The canonical SMILES for 2-hydroxy-N-(2-methoxyethyl)-N,N',N'-trimethylbut-2-enediamide is COCCN(C)C(=O)C(O)=CC(=O)N(C)C.
What is the InChIKey of 2-hydroxy-N-(2-methoxyethyl)-N,N',N'-trimethylbut-2-enediamide?
The InChIKey is PQCBTNPTJNLOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-11(2)9(14)7-8(13)10(15)12(3)5-6-16-4/h7,13H,5-6H2,1-4H3.
What are the key properties of 2-hydroxy-N-(2-methoxyethyl)-N,N',N'-trimethylbut-2-enediamide?
2-hydroxy-N-(2-methoxyethyl)-N,N',N'-trimethylbut-2-enediamide has a molecular weight of 230.26 g/mol, XLogP of -0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-methoxyethyl)-N,N',N'-trimethylbut-2-enediamide is sourced from PubChem (CID 148721706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).