N'-(2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide

C16H24N2O3 — CID 47669792

IUPACN'-(2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
SMILESCCc1cccc(CC)c1NC(=O)C(=O)NCC(C)CO
InChIInChI=1S/C16H24N2O3/c1-4-12-7-6-8-13(5-2)14(12)18-16(21)15(20)17-9-11(3)10-19/h6-8,11,19H,4-5,9-10H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyQTTNYHFDJMNZDH-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.49
Rot. Bonds6

About N'-(2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide

N'-(2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide (PubChem CID 47669792) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N'-(2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide.

Molecular Properties

Compound NameN'-(2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
PubChem CID47669792
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN'-(2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
SMILESCCc1cccc(CC)c1NC(=O)C(=O)NCC(C)CO
InChIInChI=1S/C16H24N2O3/c1-4-12-7-6-8-13(5-2)14(12)18-16(21)15(20)17-9-11(3)10-19/h6-8,11,19H,4-5,9-10H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyQTTNYHFDJMNZDH-UHFFFAOYSA-N
XLogP1.49
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-chloro-2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 47669715
N'-(2,6-diethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide
CID 110893782
N-(cyanomethyl)-N'-(2,6-diethylphenyl)oxamide
CID 43315674
N-(2-chloroethyl)-N'-(2,6-diethylphenyl)oxamide
CID 108511372
N'-(3-bromophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 47669914
4-[(2,6-diethylphenyl)carbamoylamino]-3-methylbutanoic acid
CID 81066208
N'-(3-bromo-2-methylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 110924001
N'-(3-chloro-2-fluorophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 47669560
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
N-(2,6-diethylphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 108511574
N'-(2,6-diethylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 108511400
N-(2,6-diethylphenyl)-2-methylpentanamide
CID 2952555

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide?
The IUPAC name of N'-(2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide (CID 47669792) is N'-(2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide.
What is the SMILES notation for N'-(2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide?
The canonical SMILES for N'-(2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide is CCc1cccc(CC)c1NC(=O)C(=O)NCC(C)CO.
What is the InChIKey of N'-(2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide?
The InChIKey is QTTNYHFDJMNZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-12-7-6-8-13(5-2)14(12)18-16(21)15(20)17-9-11(3)10-19/h6-8,11,19H,4-5,9-10H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of N'-(2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide?
N'-(2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide has a molecular weight of 292.38 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide is sourced from PubChem (CID 47669792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).