methyl 2-[(N-(2-methoxy-2-oxoethyl)-2-methylanilino)methyl]benzoate

C19H21NO4 — CID 20667410

IUPACmethyl 2-[(N-(2-methoxy-2-oxoethyl)-2-methylanilino)methyl]benzoate
SMILESCOC(=O)CN(Cc1ccccc1C(=O)OC)c1ccccc1C
InChIInChI=1S/C19H21NO4/c1-14-8-4-7-11-17(14)20(13-18(21)23-2)12-15-9-5-6-10-16(15)19(22)24-3/h4-11H,12-13H2,1-3H3
InChIKeyUMODLJBKJWMWFK-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.96
Rot. Bonds6

About methyl 2-[(N-(2-methoxy-2-oxoethyl)-2-methylanilino)methyl]benzoate

methyl 2-[(N-(2-methoxy-2-oxoethyl)-2-methylanilino)methyl]benzoate (PubChem CID 20667410) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl 2-[(N-(2-methoxy-2-oxoethyl)-2-methylanilino)methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(N-(2-methoxy-2-oxoethyl)-2-methylanilino)methyl]benzoate
PubChem CID20667410
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Namemethyl 2-[(N-(2-methoxy-2-oxoethyl)-2-methylanilino)methyl]benzoate
SMILESCOC(=O)CN(Cc1ccccc1C(=O)OC)c1ccccc1C
InChIInChI=1S/C19H21NO4/c1-14-8-4-7-11-17(14)20(13-18(21)23-2)12-15-9-5-6-10-16(15)19(22)24-3/h4-11H,12-13H2,1-3H3
InChIKeyUMODLJBKJWMWFK-UHFFFAOYSA-N
XLogP2.96
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-[bis(2-methoxy-2-oxoethyl)amino]-N-(2-methoxy-2-oxoethyl)anilino]acetate
CID 70130679
methyl 2-[2-(2-methylphenyl)ethyl]benzoate
CID 118040129
methyl 3-[(N-ethyl-2-methylanilino)methyl]furan-2-carboxylate
CID 78902588
methyl 2-(N-acetyl-2-methylanilino)acetate
CID 20717630
methyl 2-[[2-(2-methylbenzoyl)phenyl]methyl]benzoate
CID 10545389
methyl 2-[N-[[2-[hydroxy-(7-methoxy-1,3-benzodioxol-5-yl)methyl]phenyl]methyl]-2-methylanilino]acetate
CID 20667407
methyl 2-[[bis(2-methoxyethyl)amino]methyl]benzoate
CID 82969793
methyl 2-[(2-methylphenoxy)methyl]benzoate
CID 11043352
methyl 2-[methyl(2-oxopropyl)amino]benzoate
CID 117029506
3-[3-chloro-N-[(2-methoxycarbonylphenyl)methyl]-4-methylanilino]propanoic acid
CID 43831223
ethane;methyl 2-(bromomethyl)benzoate
CID 90979154
ethane;methyl 2-(bromomethyl)benzoate
CID 90986523

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(N-(2-methoxy-2-oxoethyl)-2-methylanilino)methyl]benzoate?
The IUPAC name of methyl 2-[(N-(2-methoxy-2-oxoethyl)-2-methylanilino)methyl]benzoate (CID 20667410) is methyl 2-[(N-(2-methoxy-2-oxoethyl)-2-methylanilino)methyl]benzoate.
What is the SMILES notation for methyl 2-[(N-(2-methoxy-2-oxoethyl)-2-methylanilino)methyl]benzoate?
The canonical SMILES for methyl 2-[(N-(2-methoxy-2-oxoethyl)-2-methylanilino)methyl]benzoate is COC(=O)CN(Cc1ccccc1C(=O)OC)c1ccccc1C.
What is the InChIKey of methyl 2-[(N-(2-methoxy-2-oxoethyl)-2-methylanilino)methyl]benzoate?
The InChIKey is UMODLJBKJWMWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-14-8-4-7-11-17(14)20(13-18(21)23-2)12-15-9-5-6-10-16(15)19(22)24-3/h4-11H,12-13H2,1-3H3.
What are the key properties of methyl 2-[(N-(2-methoxy-2-oxoethyl)-2-methylanilino)methyl]benzoate?
methyl 2-[(N-(2-methoxy-2-oxoethyl)-2-methylanilino)methyl]benzoate has a molecular weight of 327.38 g/mol, XLogP of 2.96, 6 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)-2-methylanilino)methyl]benzoate is sourced from PubChem (CID 20667410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).