N',N'-bis(2-hydroxyethyl)-N-(2-hydroxy-5-methylphenyl)oxamide

C13H18N2O5 — CID 108509860

IUPACN',N'-bis(2-hydroxyethyl)-N-(2-hydroxy-5-methylphenyl)oxamide
SMILESCc1ccc(O)c(NC(=O)C(=O)N(CCO)CCO)c1
InChIInChI=1S/C13H18N2O5/c1-9-2-3-11(18)10(8-9)14-12(19)13(20)15(4-6-16)5-7-17/h2-3,8,16-18H,4-7H2,1H3,(H,14,19)
InChIKeyYTQWUNMDGCBTJY-UHFFFAOYSA-N
MW282.30 g/mol
LogP-0.55
Rot. Bonds5

About N',N'-bis(2-hydroxyethyl)-N-(2-hydroxy-5-methylphenyl)oxamide

N',N'-bis(2-hydroxyethyl)-N-(2-hydroxy-5-methylphenyl)oxamide (PubChem CID 108509860) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is N',N'-bis(2-hydroxyethyl)-N-(2-hydroxy-5-methylphenyl)oxamide.

Molecular Properties

Compound NameN',N'-bis(2-hydroxyethyl)-N-(2-hydroxy-5-methylphenyl)oxamide
PubChem CID108509860
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC NameN',N'-bis(2-hydroxyethyl)-N-(2-hydroxy-5-methylphenyl)oxamide
SMILESCc1ccc(O)c(NC(=O)C(=O)N(CCO)CCO)c1
InChIInChI=1S/C13H18N2O5/c1-9-2-3-11(18)10(8-9)14-12(19)13(20)15(4-6-16)5-7-17/h2-3,8,16-18H,4-7H2,1H3,(H,14,19)
InChIKeyYTQWUNMDGCBTJY-UHFFFAOYSA-N
XLogP-0.55
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethylphenyl)-N',N'-dipropyloxamide
CID 108528705
N-(3,5-dimethylphenyl)-N',N'-bis(2-hydroxyethyl)oxamide
CID 108509946
N-(5-chloro-2-hydroxyphenyl)-N',N'-dipropyloxamide
CID 108519738
N-(2-amino-5-methylphenyl)-N',N'-dibutyloxamide
CID 108524625
N-(2-hydroxy-5-methylphenyl)-N'-propan-2-yloxamide
CID 108503273
N-(2-ethylphenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide
CID 108522737
N-(2-hydroxy-4-methylphenyl)-N',N'-bis(prop-2-enyl)oxamide
CID 108516853
methyl 3-(2-hydroxy-5-methylanilino)-3-oxopropanoate
CID 53375446
N-(2-hydroxy-5-methylphenyl)-N'-pyrimidin-2-yloxamide
CID 108520686
N-cyclopropyl-N'-(2-hydroxy-5-methylphenyl)oxamide
CID 108522760
N'-(2-hydroxy-5-methylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108522806
N-(2-amino-4-methylphenyl)-N'-butyl-N'-propyloxamide
CID 108521655

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(2-hydroxyethyl)-N-(2-hydroxy-5-methylphenyl)oxamide?
The IUPAC name of N',N'-bis(2-hydroxyethyl)-N-(2-hydroxy-5-methylphenyl)oxamide (CID 108509860) is N',N'-bis(2-hydroxyethyl)-N-(2-hydroxy-5-methylphenyl)oxamide.
What is the SMILES notation for N',N'-bis(2-hydroxyethyl)-N-(2-hydroxy-5-methylphenyl)oxamide?
The canonical SMILES for N',N'-bis(2-hydroxyethyl)-N-(2-hydroxy-5-methylphenyl)oxamide is Cc1ccc(O)c(NC(=O)C(=O)N(CCO)CCO)c1.
What is the InChIKey of N',N'-bis(2-hydroxyethyl)-N-(2-hydroxy-5-methylphenyl)oxamide?
The InChIKey is YTQWUNMDGCBTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-9-2-3-11(18)10(8-9)14-12(19)13(20)15(4-6-16)5-7-17/h2-3,8,16-18H,4-7H2,1H3,(H,14,19).
What are the key properties of N',N'-bis(2-hydroxyethyl)-N-(2-hydroxy-5-methylphenyl)oxamide?
N',N'-bis(2-hydroxyethyl)-N-(2-hydroxy-5-methylphenyl)oxamide has a molecular weight of 282.30 g/mol, XLogP of -0.55, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(2-hydroxyethyl)-N-(2-hydroxy-5-methylphenyl)oxamide is sourced from PubChem (CID 108509860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).