N'-(2-hydroxyethyl)-N'-methyl-N-(2-propan-2-ylphenyl)oxamide

C14H20N2O3 — CID 108500546

IUPACN'-(2-hydroxyethyl)-N'-methyl-N-(2-propan-2-ylphenyl)oxamide
SMILESCC(C)c1ccccc1NC(=O)C(=O)N(C)CCO
InChIInChI=1S/C14H20N2O3/c1-10(2)11-6-4-5-7-12(11)15-13(18)14(19)16(3)8-9-17/h4-7,10,17H,8-9H2,1-3H3,(H,15,18)
InChIKeyZHBZVHDDVVEPDR-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.20
Rot. Bonds4

About N'-(2-hydroxyethyl)-N'-methyl-N-(2-propan-2-ylphenyl)oxamide

N'-(2-hydroxyethyl)-N'-methyl-N-(2-propan-2-ylphenyl)oxamide (PubChem CID 108500546) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N'-(2-hydroxyethyl)-N'-methyl-N-(2-propan-2-ylphenyl)oxamide.

Molecular Properties

Compound NameN'-(2-hydroxyethyl)-N'-methyl-N-(2-propan-2-ylphenyl)oxamide
PubChem CID108500546
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN'-(2-hydroxyethyl)-N'-methyl-N-(2-propan-2-ylphenyl)oxamide
SMILESCC(C)c1ccccc1NC(=O)C(=O)N(C)CCO
InChIInChI=1S/C14H20N2O3/c1-10(2)11-6-4-5-7-12(11)15-13(18)14(19)16(3)8-9-17/h4-7,10,17H,8-9H2,1-3H3,(H,15,18)
InChIKeyZHBZVHDDVVEPDR-UHFFFAOYSA-N
XLogP1.20
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-benzyl-N'-(2-hydroxyethyl)-N-(2-propan-2-ylphenyl)oxamide
CID 108500524
2-[N-(2-hydroxyethyl)anilino]-N-(2-propan-2-ylphenyl)acetamide
CID 110880303
N'-acetyl-N'-(2-aminoethyl)-N-(2-propan-2-ylphenyl)oxamide
CID 108500601
2-[2-hydroxyethyl(propyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 60692713
N'-(1-hydroxy-4-methylpentan-3-yl)-N-(2-propan-2-ylphenyl)oxamide
CID 111798693
N-(5-hydroxypentyl)-N'-(2-propan-2-ylphenyl)oxamide
CID 108500540
2-methyl-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 86076819
N'-naphthalen-1-yl-N-(2-propan-2-ylphenyl)oxamide
CID 108500558
N-(2-propan-2-ylphenyl)propanamide
CID 723442
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881
N'-(2-hydroxyethyl)-N-(4-hydroxyphenyl)-N'-methyloxamide
CID 108502057
2-[3-hydroxybutyl(methyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 115665846

Frequently Asked Questions

What is the IUPAC name of N'-(2-hydroxyethyl)-N'-methyl-N-(2-propan-2-ylphenyl)oxamide?
The IUPAC name of N'-(2-hydroxyethyl)-N'-methyl-N-(2-propan-2-ylphenyl)oxamide (CID 108500546) is N'-(2-hydroxyethyl)-N'-methyl-N-(2-propan-2-ylphenyl)oxamide.
What is the SMILES notation for N'-(2-hydroxyethyl)-N'-methyl-N-(2-propan-2-ylphenyl)oxamide?
The canonical SMILES for N'-(2-hydroxyethyl)-N'-methyl-N-(2-propan-2-ylphenyl)oxamide is CC(C)c1ccccc1NC(=O)C(=O)N(C)CCO.
What is the InChIKey of N'-(2-hydroxyethyl)-N'-methyl-N-(2-propan-2-ylphenyl)oxamide?
The InChIKey is ZHBZVHDDVVEPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(2)11-6-4-5-7-12(11)15-13(18)14(19)16(3)8-9-17/h4-7,10,17H,8-9H2,1-3H3,(H,15,18).
What are the key properties of N'-(2-hydroxyethyl)-N'-methyl-N-(2-propan-2-ylphenyl)oxamide?
N'-(2-hydroxyethyl)-N'-methyl-N-(2-propan-2-ylphenyl)oxamide has a molecular weight of 264.32 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-hydroxyethyl)-N'-methyl-N-(2-propan-2-ylphenyl)oxamide is sourced from PubChem (CID 108500546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).