methyl 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate

C12H15NO4 — CID 5323791

IUPACmethyl 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate
SMILESCOC(=O)CN(CC(=O)OC)c1ccccc1
InChIInChI=1S/C12H15NO4/c1-16-11(14)8-13(9-12(15)17-2)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyRMEAGPNQGRGWLG-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.84
Rot. Bonds5

About methyl 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate

methyl 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate (PubChem CID 5323791) has the molecular formula C12H15NO4 and a molecular weight of 237.26 g/mol. Its IUPAC name is methyl 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate.

Molecular Properties

Compound Namemethyl 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate
PubChem CID5323791
Molecular FormulaC12H15NO4
Molecular Weight237.26 g/mol
Exact Mass237.10
IUPAC Namemethyl 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate
SMILESCOC(=O)CN(CC(=O)OC)c1ccccc1
InChIInChI=1S/C12H15NO4/c1-16-11(14)8-13(9-12(15)17-2)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyRMEAGPNQGRGWLG-UHFFFAOYSA-N
XLogP0.84
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-(2-methoxy-2-oxoethyl)anilino)acetate
CID 58908238
methyl 2-[N-(aminomethyl)anilino]acetate
CID 174634424
methyl 2-[N-(aminomethyl)anilino]acetate;hydrochloride
CID 174634423
2-(4-benzoyl-N-(2-methoxy-2-oxoethyl)anilino)acetic acid
CID 59772153
methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]-N-(2-methoxy-2-oxoethyl)anilino]acetate
CID 70130679
2-(N-(3-methoxy-3-oxopropyl)anilino)acetic acid
CID 71150881
methyl 2-[N-(2-methoxy-2-oxoethyl)-4-(trifluoromethyl)anilino]acetate
CID 62956796
methyl 2-(N-(2-methoxy-2-oxoethyl)-3-nitroanilino)acetate
CID 19389141
methyl 3-[N-[2-(dimethylamino)ethyl]anilino]propanoate
CID 57083436
2-(N-[2-(1-methoxypropan-2-yloxy)-2-oxoethyl]anilino)acetic acid
CID 59772093
methyl 2-(N-[3-(4-chlorophenoxy)-2-hydroxypropyl]anilino)acetate
CID 12801053
[4-[bis[4-[bis(2-methoxy-2-oxoethyl)amino]phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]nickel
CID 170959340

Frequently Asked Questions

What is the IUPAC name of methyl 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate?
The IUPAC name of methyl 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate (CID 5323791) is methyl 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate.
What is the SMILES notation for methyl 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate?
The canonical SMILES for methyl 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate is COC(=O)CN(CC(=O)OC)c1ccccc1.
What is the InChIKey of methyl 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate?
The InChIKey is RMEAGPNQGRGWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-16-11(14)8-13(9-12(15)17-2)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3.
What are the key properties of methyl 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate?
methyl 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate has a molecular weight of 237.26 g/mol, XLogP of 0.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate is sourced from PubChem (CID 5323791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).