N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-N-methylformamide

C10H13NO4 — CID 123887702

IUPACN-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-N-methylformamide
SMILESCN(C=O)CC(O)c1ccc(O)c(O)c1
InChIInChI=1S/C10H13NO4/c1-11(6-12)5-10(15)7-2-3-8(13)9(14)4-7/h2-4,6,10,13-15H,5H2,1H3
InChIKeyUOUAOHPKLYXEEH-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.22
Rot. Bonds4

About N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-N-methylformamide

N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-N-methylformamide (PubChem CID 123887702) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-N-methylformamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-N-methylformamide
PubChem CID123887702
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC NameN-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-N-methylformamide
SMILESCN(C=O)CC(O)c1ccc(O)c(O)c1
InChIInChI=1S/C10H13NO4/c1-11(6-12)5-10(15)7-2-3-8(13)9(14)4-7/h2-4,6,10,13-15H,5H2,1H3
InChIKeyUOUAOHPKLYXEEH-UHFFFAOYSA-N
XLogP0.22
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-[(1R)-2-[ethyl(methyl)amino]-1-hydroxyethyl]benzene-1,2-diol
CID 131858133
4-[(1S)-1-hydroxybutyl]benzene-1,2-diol;4-[(1R)-1-hydroxybutyl]benzene-1,2-diol
CID 162227064
4-[2-[benzyl(methyl)amino]-1-hydroxyethyl]benzene-1,2-diol
CID 22005903
4-(2-fluoro-1-hydroxyethyl)benzene-1,2-diol
CID 130033907
(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyacetaldehyde
CID 90657292
[(2S)-2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]azanium
CID 6921839
N-[(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-N,3,7,11,15,19,23,27-octamethyloctacosa-2,6,10,14,18,22,26-heptaenamide
CID 70494513
4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydrate
CID 18674898
4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydroiodide
CID 71478439
4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydrobromide
CID 71478438
3-(3,4-dihydroxyphenyl)-2-[ethyl(methyl)amino]-3-hydroxypropanoic acid
CID 14070860
4-[2-[cyclohepta-1,3,5-trien-1-ylmethyl(methyl)amino]-1-hydroxyethyl]benzene-1,2-diol
CID 142044413

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-N-methylformamide?
The IUPAC name of N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-N-methylformamide (CID 123887702) is N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-N-methylformamide.
What is the SMILES notation for N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-N-methylformamide?
The canonical SMILES for N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-N-methylformamide is CN(C=O)CC(O)c1ccc(O)c(O)c1.
What is the InChIKey of N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-N-methylformamide?
The InChIKey is UOUAOHPKLYXEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-11(6-12)5-10(15)7-2-3-8(13)9(14)4-7/h2-4,6,10,13-15H,5H2,1H3.
What are the key properties of N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-N-methylformamide?
N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-N-methylformamide has a molecular weight of 211.22 g/mol, XLogP of 0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-N-methylformamide is sourced from PubChem (CID 123887702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).