methyl 4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoate

C14H19NO4 — CID 112603565

IUPACmethyl 4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COC(C)(C)C)cc1
InChIInChI=1S/C14H19NO4/c1-14(2,3)19-9-12(16)15-11-7-5-10(6-8-11)13(17)18-4/h5-8H,9H2,1-4H3,(H,15,16)
InChIKeyFAKWHFHIBRBMMJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.23
Rot. Bonds4

About methyl 4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoate

methyl 4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoate (PubChem CID 112603565) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoate
PubChem CID112603565
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COC(C)(C)C)cc1
InChIInChI=1S/C14H19NO4/c1-14(2,3)19-9-12(16)15-11-7-5-10(6-8-11)13(17)18-4/h5-8H,9H2,1-4H3,(H,15,16)
InChIKeyFAKWHFHIBRBMMJ-UHFFFAOYSA-N
XLogP2.23
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenyl]carbamate
CID 115949974
N-[4-(hydroxymethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603178
methyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 710358
2-methyl-N-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenyl]propanamide
CID 115950293
N-[4-(dimethylamino)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605077
methyl 4-[(3,3-dimethyl-4-oxopentanoyl)amino]benzoate
CID 23265923
methyl 4-[(2-sulfanylacetyl)amino]benzoate
CID 59707367
methyl 4-[(2-bromoacetyl)amino]benzoate
CID 3416406
2-[(2-methylpropan-2-yl)oxy]-N-(4-sulfamoylphenyl)acetamide
CID 112602943
methyl 4-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]benzoate
CID 9082993
N-[4-(2-bromoethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604146
2-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenoxy]acetic acid
CID 115949264

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoate (CID 112603565) is methyl 4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)COC(C)(C)C)cc1.
What is the InChIKey of methyl 4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoate?
The InChIKey is FAKWHFHIBRBMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-14(2,3)19-9-12(16)15-11-7-5-10(6-8-11)13(17)18-4/h5-8H,9H2,1-4H3,(H,15,16).
What are the key properties of methyl 4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoate?
methyl 4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoate has a molecular weight of 265.31 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]benzoate is sourced from PubChem (CID 112603565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).