N'-(1-hydroxy-2-methylpropan-2-yl)-N-[(4-methylphenyl)methyl]oxamide

C14H20N2O3 — CID 44995791

IUPACN'-(1-hydroxy-2-methylpropan-2-yl)-N-[(4-methylphenyl)methyl]oxamide
SMILESCc1ccc(CNC(=O)C(=O)NC(C)(C)CO)cc1
InChIInChI=1S/C14H20N2O3/c1-10-4-6-11(7-5-10)8-15-12(18)13(19)16-14(2,3)9-17/h4-7,17H,8-9H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyHAZVNXFFKIIPFV-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.50
Rot. Bonds4

About N'-(1-hydroxy-2-methylpropan-2-yl)-N-[(4-methylphenyl)methyl]oxamide

N'-(1-hydroxy-2-methylpropan-2-yl)-N-[(4-methylphenyl)methyl]oxamide (PubChem CID 44995791) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N'-(1-hydroxy-2-methylpropan-2-yl)-N-[(4-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(1-hydroxy-2-methylpropan-2-yl)-N-[(4-methylphenyl)methyl]oxamide
PubChem CID44995791
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN'-(1-hydroxy-2-methylpropan-2-yl)-N-[(4-methylphenyl)methyl]oxamide
SMILESCc1ccc(CNC(=O)C(=O)NC(C)(C)CO)cc1
InChIInChI=1S/C14H20N2O3/c1-10-4-6-11(7-5-10)8-15-12(18)13(19)16-14(2,3)9-17/h4-7,17H,8-9H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyHAZVNXFFKIIPFV-UHFFFAOYSA-N
XLogP0.50
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.50
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,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
N-ethyl-N'-[(4-methylphenyl)methyl]oxamide
CID 2291435
N'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503230
N-[(4-methylphenyl)methyl]-N'-propan-2-yloxamide
CID 2271421
N-[(4-methylphenyl)methyl]-N'-(2-methylpropyl)oxamide
CID 2274015
3-methyl-3-[(4-methylphenyl)methylcarbamoylamino]butanoic acid
CID 64702591
1-[(4-ethoxyphenyl)methyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 108884584
2-(ethylamino)-2-methyl-N-[(4-methylphenyl)methyl]propanamide
CID 62831732
N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide
CID 97423443
3-amino-3-methyl-N-[(4-methylphenyl)methyl]butanamide
CID 64686332
N-(2-amino-4-methylphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 108532766
N-[(4-methylphenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide
CID 44999915

Frequently Asked Questions

What is the IUPAC name of N'-(1-hydroxy-2-methylpropan-2-yl)-N-[(4-methylphenyl)methyl]oxamide?
The IUPAC name of N'-(1-hydroxy-2-methylpropan-2-yl)-N-[(4-methylphenyl)methyl]oxamide (CID 44995791) is N'-(1-hydroxy-2-methylpropan-2-yl)-N-[(4-methylphenyl)methyl]oxamide.
What is the SMILES notation for N'-(1-hydroxy-2-methylpropan-2-yl)-N-[(4-methylphenyl)methyl]oxamide?
The canonical SMILES for N'-(1-hydroxy-2-methylpropan-2-yl)-N-[(4-methylphenyl)methyl]oxamide is Cc1ccc(CNC(=O)C(=O)NC(C)(C)CO)cc1.
What is the InChIKey of N'-(1-hydroxy-2-methylpropan-2-yl)-N-[(4-methylphenyl)methyl]oxamide?
The InChIKey is HAZVNXFFKIIPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-4-6-11(7-5-10)8-15-12(18)13(19)16-14(2,3)9-17/h4-7,17H,8-9H2,1-3H3,(H,15,18)(H,16,19).
What are the key properties of N'-(1-hydroxy-2-methylpropan-2-yl)-N-[(4-methylphenyl)methyl]oxamide?
N'-(1-hydroxy-2-methylpropan-2-yl)-N-[(4-methylphenyl)methyl]oxamide has a molecular weight of 264.32 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-hydroxy-2-methylpropan-2-yl)-N-[(4-methylphenyl)methyl]oxamide is sourced from PubChem (CID 44995791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).