methyl 4-(1-hydroxypropan-2-ylcarbamoyl)benzoate

C12H15NO4 — CID 78857241

IUPACmethyl 4-(1-hydroxypropan-2-ylcarbamoyl)benzoate
SMILESCOC(=O)c1ccc(C(=O)NC(C)CO)cc1
InChIInChI=1S/C12H15NO4/c1-8(7-14)13-11(15)9-3-5-10(6-4-9)12(16)17-2/h3-6,8,14H,7H2,1-2H3,(H,13,15)
InChIKeyUUMZDGSSKBYXEI-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.58
Rot. Bonds4

About methyl 4-(1-hydroxypropan-2-ylcarbamoyl)benzoate

methyl 4-(1-hydroxypropan-2-ylcarbamoyl)benzoate (PubChem CID 78857241) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is methyl 4-(1-hydroxypropan-2-ylcarbamoyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(1-hydroxypropan-2-ylcarbamoyl)benzoate
PubChem CID78857241
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Namemethyl 4-(1-hydroxypropan-2-ylcarbamoyl)benzoate
SMILESCOC(=O)c1ccc(C(=O)NC(C)CO)cc1
InChIInChI=1S/C12H15NO4/c1-8(7-14)13-11(15)9-3-5-10(6-4-9)12(16)17-2/h3-6,8,14H,7H2,1-2H3,(H,13,15)
InChIKeyUUMZDGSSKBYXEI-UHFFFAOYSA-N
XLogP0.58
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[4-(butan-2-ylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17201378
4-(chloromethyl)-N-(1-hydroxypropan-2-yl)benzamide
CID 61251276
methyl 2-[4-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]phenyl]-5-methoxybenzoate
CID 126427299
methyl 2-[4-(1-hydroxypropan-2-ylcarbamoyl)phenyl]-5-methoxybenzoate
CID 118765531
4-ethynyl-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 101217626
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
N-(1-hydroxypropan-2-yl)-4-propoxybenzamide
CID 43418970
4-(diethylamino)-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 79031417
3-hydroxy-N-(1-hydroxypropan-2-yl)-4-methoxybenzamide
CID 79732831
dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol
CID 19938676
methyl 4-(1-hydroxypropan-2-ylsulfamoyl)benzoate
CID 43476805
4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-3-methoxybenzamide
CID 81284566

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-hydroxypropan-2-ylcarbamoyl)benzoate?
The IUPAC name of methyl 4-(1-hydroxypropan-2-ylcarbamoyl)benzoate (CID 78857241) is methyl 4-(1-hydroxypropan-2-ylcarbamoyl)benzoate.
What is the SMILES notation for methyl 4-(1-hydroxypropan-2-ylcarbamoyl)benzoate?
The canonical SMILES for methyl 4-(1-hydroxypropan-2-ylcarbamoyl)benzoate is COC(=O)c1ccc(C(=O)NC(C)CO)cc1.
What is the InChIKey of methyl 4-(1-hydroxypropan-2-ylcarbamoyl)benzoate?
The InChIKey is UUMZDGSSKBYXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-8(7-14)13-11(15)9-3-5-10(6-4-9)12(16)17-2/h3-6,8,14H,7H2,1-2H3,(H,13,15).
What are the key properties of methyl 4-(1-hydroxypropan-2-ylcarbamoyl)benzoate?
methyl 4-(1-hydroxypropan-2-ylcarbamoyl)benzoate has a molecular weight of 237.25 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-hydroxypropan-2-ylcarbamoyl)benzoate is sourced from PubChem (CID 78857241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).