methyl 2-[2-(4-ethylanilino)-2-oxoethoxy]-4-methoxybenzoate

C19H21NO5 — CID 7704975

IUPACmethyl 2-[2-(4-ethylanilino)-2-oxoethoxy]-4-methoxybenzoate
SMILESCCc1ccc(NC(=O)COc2cc(OC)ccc2C(=O)OC)cc1
InChIInChI=1S/C19H21NO5/c1-4-13-5-7-14(8-6-13)20-18(21)12-25-17-11-15(23-2)9-10-16(17)19(22)24-3/h5-11H,4,12H2,1-3H3,(H,20,21)
InChIKeyCHYNJVWCBDMHFG-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.06
Rot. Bonds7

About methyl 2-[2-(4-ethylanilino)-2-oxoethoxy]-4-methoxybenzoate

methyl 2-[2-(4-ethylanilino)-2-oxoethoxy]-4-methoxybenzoate (PubChem CID 7704975) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is methyl 2-[2-(4-ethylanilino)-2-oxoethoxy]-4-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[2-(4-ethylanilino)-2-oxoethoxy]-4-methoxybenzoate
PubChem CID7704975
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Namemethyl 2-[2-(4-ethylanilino)-2-oxoethoxy]-4-methoxybenzoate
SMILESCCc1ccc(NC(=O)COc2cc(OC)ccc2C(=O)OC)cc1
InChIInChI=1S/C19H21NO5/c1-4-13-5-7-14(8-6-13)20-18(21)12-25-17-11-15(23-2)9-10-16(17)19(22)24-3/h5-11H,4,12H2,1-3H3,(H,20,21)
InChIKeyCHYNJVWCBDMHFG-UHFFFAOYSA-N
XLogP3.06
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-(4-tert-butylanilino)-2-oxoethoxy]-4-methoxybenzoate
CID 7704907
4-methoxy-2-[2-(4-methoxycarbonylanilino)-2-oxoethoxy]benzoic acid
CID 45418346
[2-(4-ethylanilino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate
CID 7887494
2-(2-anilino-2-oxoethoxy)-4-methoxybenzoic acid
CID 45418219
2-(2-acetyl-5-methoxyphenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 2709111
methyl 2-[2-(2-chloro-4-fluoroanilino)-2-oxoethoxy]-4-methoxybenzoate
CID 7704925
2-(2-acetyl-5-methoxyphenoxy)-N-(3,4-diethoxyphenyl)acetamide
CID 7688310
2-(2,6-dimethoxy-4-methylphenoxy)-N-(4-ethylphenyl)acetamide
CID 7686490
N-[[4-(4-ethylanilino)-4-oxobutan-2-ylidene]amino]-2,4-dimethoxybenzamide
CID 3399495
(2-anilino-2-oxoethyl) 2,4-dimethoxybenzoate
CID 2409406
1-[[2-(4-ethylphenoxy)acetyl]amino]-3-(4-methoxyphenyl)thiourea
CID 3659337
1-(4-ethylphenyl)-3-[[2-(4-methoxyphenoxy)acetyl]amino]thiourea
CID 7988129

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-ethylanilino)-2-oxoethoxy]-4-methoxybenzoate?
The IUPAC name of methyl 2-[2-(4-ethylanilino)-2-oxoethoxy]-4-methoxybenzoate (CID 7704975) is methyl 2-[2-(4-ethylanilino)-2-oxoethoxy]-4-methoxybenzoate.
What is the SMILES notation for methyl 2-[2-(4-ethylanilino)-2-oxoethoxy]-4-methoxybenzoate?
The canonical SMILES for methyl 2-[2-(4-ethylanilino)-2-oxoethoxy]-4-methoxybenzoate is CCc1ccc(NC(=O)COc2cc(OC)ccc2C(=O)OC)cc1.
What is the InChIKey of methyl 2-[2-(4-ethylanilino)-2-oxoethoxy]-4-methoxybenzoate?
The InChIKey is CHYNJVWCBDMHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-4-13-5-7-14(8-6-13)20-18(21)12-25-17-11-15(23-2)9-10-16(17)19(22)24-3/h5-11H,4,12H2,1-3H3,(H,20,21).
What are the key properties of methyl 2-[2-(4-ethylanilino)-2-oxoethoxy]-4-methoxybenzoate?
methyl 2-[2-(4-ethylanilino)-2-oxoethoxy]-4-methoxybenzoate has a molecular weight of 343.38 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-ethylanilino)-2-oxoethoxy]-4-methoxybenzoate is sourced from PubChem (CID 7704975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).