(4-methylphenyl)methyl 2-[hydroxy-[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]acetate

C20H23NO5 — CID 144833958

IUPAC(4-methylphenyl)methyl 2-[hydroxy-[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]acetate
SMILESCc1ccc(COC(=O)CN(O)CC(=O)OCc2ccc(C)cc2)cc1
InChIInChI=1S/C20H23NO5/c1-15-3-7-17(8-4-15)13-25-19(22)11-21(24)12-20(23)26-14-18-9-5-16(2)6-10-18/h3-10,24H,11-14H2,1-2H3
InChIKeyCSWDGGZPLTTXNU-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.78
Rot. Bonds8

About (4-methylphenyl)methyl 2-[hydroxy-[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]acetate

(4-methylphenyl)methyl 2-[hydroxy-[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]acetate (PubChem CID 144833958) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is (4-methylphenyl)methyl 2-[hydroxy-[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Name(4-methylphenyl)methyl 2-[hydroxy-[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]acetate
PubChem CID144833958
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name(4-methylphenyl)methyl 2-[hydroxy-[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]acetate
SMILESCc1ccc(COC(=O)CN(O)CC(=O)OCc2ccc(C)cc2)cc1
InChIInChI=1S/C20H23NO5/c1-15-3-7-17(8-4-15)13-25-19(22)11-21(24)12-20(23)26-14-18-9-5-16(2)6-10-18/h3-10,24H,11-14H2,1-2H3
InChIKeyCSWDGGZPLTTXNU-UHFFFAOYSA-N
XLogP2.78
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-methylphenyl)methyl 2-chloroacetate
CID 11275652
1-O-ethyl 4-O-[(4-methylphenyl)methyl] butanedioate
CID 91703852
2-[[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]acetic acid
CID 146503139
iodo (4-methylphenyl)methyl carbonate
CID 170151158
(4-methylphenyl)methyl N-aminocarbamate
CID 13494891
(2S)-3-methyl-2-[[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]butanoic acid
CID 146503042
[4-(trifluoromethyl)phenyl]methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 27014370
(4-methylphenyl)methyl (2S)-2,3-dimethylbutanoate
CID 59174150
tert-butyl (4-methylphenyl)methyl carbonate
CID 25140703
(4-methylphenyl)methyl 2-(4-aminophenoxy)acetate
CID 61321197
(4-methylphenyl)methyl 3-(4-methylphenyl)sulfonylpropanoate
CID 55303928
1-O-butyl 10-O-[(4-methylphenyl)methyl] decanedioate
CID 91703762

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl 2-[hydroxy-[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]acetate?
The IUPAC name of (4-methylphenyl)methyl 2-[hydroxy-[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]acetate (CID 144833958) is (4-methylphenyl)methyl 2-[hydroxy-[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]acetate.
What is the SMILES notation for (4-methylphenyl)methyl 2-[hydroxy-[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]acetate?
The canonical SMILES for (4-methylphenyl)methyl 2-[hydroxy-[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]acetate is Cc1ccc(COC(=O)CN(O)CC(=O)OCc2ccc(C)cc2)cc1.
What is the InChIKey of (4-methylphenyl)methyl 2-[hydroxy-[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]acetate?
The InChIKey is CSWDGGZPLTTXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-15-3-7-17(8-4-15)13-25-19(22)11-21(24)12-20(23)26-14-18-9-5-16(2)6-10-18/h3-10,24H,11-14H2,1-2H3.
What are the key properties of (4-methylphenyl)methyl 2-[hydroxy-[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]acetate?
(4-methylphenyl)methyl 2-[hydroxy-[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]acetate has a molecular weight of 357.41 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl 2-[hydroxy-[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]acetate is sourced from PubChem (CID 144833958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).