methyl 2-[2-[(2-methylpropan-2-yl)oxy-(2-oxoethyl)amino]phenyl]acetate

C15H21NO4 — CID 87791393

IUPACmethyl 2-[2-[(2-methylpropan-2-yl)oxy-(2-oxoethyl)amino]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1N(CC=O)OC(C)(C)C
InChIInChI=1S/C15H21NO4/c1-15(2,3)20-16(9-10-17)13-8-6-5-7-12(13)11-14(18)19-4/h5-8,10H,9,11H2,1-4H3
InChIKeyCLTAAKNVWRIRDU-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.14
Rot. Bonds6

About methyl 2-[2-[(2-methylpropan-2-yl)oxy-(2-oxoethyl)amino]phenyl]acetate

methyl 2-[2-[(2-methylpropan-2-yl)oxy-(2-oxoethyl)amino]phenyl]acetate (PubChem CID 87791393) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 2-[2-[(2-methylpropan-2-yl)oxy-(2-oxoethyl)amino]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(2-methylpropan-2-yl)oxy-(2-oxoethyl)amino]phenyl]acetate
PubChem CID87791393
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl 2-[2-[(2-methylpropan-2-yl)oxy-(2-oxoethyl)amino]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1N(CC=O)OC(C)(C)C
InChIInChI=1S/C15H21NO4/c1-15(2,3)20-16(9-10-17)13-8-6-5-7-12(13)11-14(18)19-4/h5-8,10H,9,11H2,1-4H3
InChIKeyCLTAAKNVWRIRDU-UHFFFAOYSA-N
XLogP2.14
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2-[bis(methylsulfonyl)amino]phenyl]acetate
CID 69384728
2-(2-methoxy-2-oxoethyl)phenolate
CID 19356399
sodium 2-(2-methoxy-2-oxoethyl)phenolate
CID 162306929
methyl 2-[2-(2-oxopropyl)phenyl]acetate
CID 70551388
methyl 2-[2-[[[3-(dimethylamino)-2,2-dimethylpropyl]amino]methyl]phenyl]acetate
CID 115461412
ethane;methyl 2-(2-methylphenyl)acetate
CID 142489189
methyl 2-(2-butylphenyl)acetate
CID 141125258
methyl 2-(2-cyclopentylphenyl)acetate
CID 117047538
methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356446
methyl 2-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]acetate
CID 115462600
methyl 2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetate
CID 115462632
methyl 2-[2-(3-amino-3-oxoprop-1-enyl)phenyl]acetate
CID 169482244

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(2-methylpropan-2-yl)oxy-(2-oxoethyl)amino]phenyl]acetate?
The IUPAC name of methyl 2-[2-[(2-methylpropan-2-yl)oxy-(2-oxoethyl)amino]phenyl]acetate (CID 87791393) is methyl 2-[2-[(2-methylpropan-2-yl)oxy-(2-oxoethyl)amino]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[(2-methylpropan-2-yl)oxy-(2-oxoethyl)amino]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[(2-methylpropan-2-yl)oxy-(2-oxoethyl)amino]phenyl]acetate is COC(=O)Cc1ccccc1N(CC=O)OC(C)(C)C.
What is the InChIKey of methyl 2-[2-[(2-methylpropan-2-yl)oxy-(2-oxoethyl)amino]phenyl]acetate?
The InChIKey is CLTAAKNVWRIRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-15(2,3)20-16(9-10-17)13-8-6-5-7-12(13)11-14(18)19-4/h5-8,10H,9,11H2,1-4H3.
What are the key properties of methyl 2-[2-[(2-methylpropan-2-yl)oxy-(2-oxoethyl)amino]phenyl]acetate?
methyl 2-[2-[(2-methylpropan-2-yl)oxy-(2-oxoethyl)amino]phenyl]acetate has a molecular weight of 279.34 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(2-methylpropan-2-yl)oxy-(2-oxoethyl)amino]phenyl]acetate is sourced from PubChem (CID 87791393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).