(2-hydroxy-2-methylpropyl) 2-benzamidoacetate

C13H17NO4 — CID 134970204

IUPAC(2-hydroxy-2-methylpropyl) 2-benzamidoacetate
SMILESCC(C)(O)COC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C13H17NO4/c1-13(2,17)9-18-11(15)8-14-12(16)10-6-4-3-5-7-10/h3-7,17H,8-9H2,1-2H3,(H,14,16)
InChIKeyHDFADVOAUOFDOQ-UHFFFAOYSA-N
MW251.28 g/mol
LogP0.73
Rot. Bonds5

About (2-hydroxy-2-methylpropyl) 2-benzamidoacetate

(2-hydroxy-2-methylpropyl) 2-benzamidoacetate (PubChem CID 134970204) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is (2-hydroxy-2-methylpropyl) 2-benzamidoacetate.

Molecular Properties

Compound Name(2-hydroxy-2-methylpropyl) 2-benzamidoacetate
PubChem CID134970204
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name(2-hydroxy-2-methylpropyl) 2-benzamidoacetate
SMILESCC(C)(O)COC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C13H17NO4/c1-13(2,17)9-18-11(15)8-14-12(16)10-6-4-3-5-7-10/h3-7,17H,8-9H2,1-2H3,(H,14,16)
InChIKeyHDFADVOAUOFDOQ-UHFFFAOYSA-N
XLogP0.73
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxy-2-oxoethyl) 2-benzamidoacetate
CID 24647854
N-(2-hydroxy-2-methylpropoxy)benzamide
CID 87971931
benzyl 2-benzamidoacetate;ethane
CID 142836612
(2-ethoxy-2-oxoethyl) 2-benzamidoacetate
CID 134093202
sodium;amino 2-benzamidoacetate;hydride
CID 175503094
N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]benzamide
CID 79381250
(carbamothioylamino) 2-benzamidoacetate
CID 174948338
(4-methylsulfanylphenyl)methyl 2-benzamidoacetate
CID 7783424
3-phenoxypropyl 2-[(4-tert-butylbenzoyl)amino]acetate
CID 55568498
N-ethylbenzamide
CID 160772566
(4-methoxyphenyl) 2-benzamidoacetate
CID 23275662
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-benzamidoacetate
CID 2625515

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-2-methylpropyl) 2-benzamidoacetate?
The IUPAC name of (2-hydroxy-2-methylpropyl) 2-benzamidoacetate (CID 134970204) is (2-hydroxy-2-methylpropyl) 2-benzamidoacetate.
What is the SMILES notation for (2-hydroxy-2-methylpropyl) 2-benzamidoacetate?
The canonical SMILES for (2-hydroxy-2-methylpropyl) 2-benzamidoacetate is CC(C)(O)COC(=O)CNC(=O)c1ccccc1.
What is the InChIKey of (2-hydroxy-2-methylpropyl) 2-benzamidoacetate?
The InChIKey is HDFADVOAUOFDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-13(2,17)9-18-11(15)8-14-12(16)10-6-4-3-5-7-10/h3-7,17H,8-9H2,1-2H3,(H,14,16).
What are the key properties of (2-hydroxy-2-methylpropyl) 2-benzamidoacetate?
(2-hydroxy-2-methylpropyl) 2-benzamidoacetate has a molecular weight of 251.28 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-2-methylpropyl) 2-benzamidoacetate is sourced from PubChem (CID 134970204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).