3-hydroxy-4-[2-methoxyethyl(methyl)amino]-N,N-dimethylpenta-2,4-dienamide

C11H20N2O3 — CID 160702435

IUPAC3-hydroxy-4-[2-methoxyethyl(methyl)amino]-N,N-dimethylpenta-2,4-dienamide
SMILESC=C(C(O)=CC(=O)N(C)C)N(C)CCOC
InChIInChI=1S/C11H20N2O3/c1-9(13(4)6-7-16-5)10(14)8-11(15)12(2)3/h8,14H,1,6-7H2,2-5H3
InChIKeyCZBVOVWTHBXQTN-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.61
Rot. Bonds6

About 3-hydroxy-4-[2-methoxyethyl(methyl)amino]-N,N-dimethylpenta-2,4-dienamide

3-hydroxy-4-[2-methoxyethyl(methyl)amino]-N,N-dimethylpenta-2,4-dienamide (PubChem CID 160702435) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-hydroxy-4-[2-methoxyethyl(methyl)amino]-N,N-dimethylpenta-2,4-dienamide.

Molecular Properties

Compound Name3-hydroxy-4-[2-methoxyethyl(methyl)amino]-N,N-dimethylpenta-2,4-dienamide
PubChem CID160702435
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-hydroxy-4-[2-methoxyethyl(methyl)amino]-N,N-dimethylpenta-2,4-dienamide
SMILESC=C(C(O)=CC(=O)N(C)C)N(C)CCOC
InChIInChI=1S/C11H20N2O3/c1-9(13(4)6-7-16-5)10(14)8-11(15)12(2)3/h8,14H,1,6-7H2,2-5H3
InChIKeyCZBVOVWTHBXQTN-UHFFFAOYSA-N
XLogP0.61
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.61
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-(2-methoxyethyl)-N,N',N'-trimethylbut-2-enediamide
CID 148721706
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
acetic acid;2-methoxy-N,N-dimethylethanamine
CID 173078438
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CID 61040705
2-hydroxy-3-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylpropanoic acid
CID 66177000
5-[2-methoxyethyl(methyl)amino]-2-methylidenehexa-3,5-dienal
CID 123598373
4-[2-methoxyethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497960
2-[carboxymethyl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid
CID 63645121
N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)prop-2-enamide
CID 60949543
3-amino-N-(2-methoxyethyl)-N,3-dimethylbutanamide
CID 64676750
N-(2-methoxyethyl)-N,2-dimethyl-2-(methylamino)propanamide
CID 62848180

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[2-methoxyethyl(methyl)amino]-N,N-dimethylpenta-2,4-dienamide?
The IUPAC name of 3-hydroxy-4-[2-methoxyethyl(methyl)amino]-N,N-dimethylpenta-2,4-dienamide (CID 160702435) is 3-hydroxy-4-[2-methoxyethyl(methyl)amino]-N,N-dimethylpenta-2,4-dienamide.
What is the SMILES notation for 3-hydroxy-4-[2-methoxyethyl(methyl)amino]-N,N-dimethylpenta-2,4-dienamide?
The canonical SMILES for 3-hydroxy-4-[2-methoxyethyl(methyl)amino]-N,N-dimethylpenta-2,4-dienamide is C=C(C(O)=CC(=O)N(C)C)N(C)CCOC.
What is the InChIKey of 3-hydroxy-4-[2-methoxyethyl(methyl)amino]-N,N-dimethylpenta-2,4-dienamide?
The InChIKey is CZBVOVWTHBXQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-9(13(4)6-7-16-5)10(14)8-11(15)12(2)3/h8,14H,1,6-7H2,2-5H3.
What are the key properties of 3-hydroxy-4-[2-methoxyethyl(methyl)amino]-N,N-dimethylpenta-2,4-dienamide?
3-hydroxy-4-[2-methoxyethyl(methyl)amino]-N,N-dimethylpenta-2,4-dienamide has a molecular weight of 228.29 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[2-methoxyethyl(methyl)amino]-N,N-dimethylpenta-2,4-dienamide is sourced from PubChem (CID 160702435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).