[2-(N-methylanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate

C19H21NO5 — CID 2501259

IUPAC[2-(N-methylanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)N(C)c2ccccc2)cc1OC
InChIInChI=1S/C19H21NO5/c1-4-24-16-11-10-14(12-17(16)23-3)19(22)25-13-18(21)20(2)15-8-6-5-7-9-15/h5-12H,4,13H2,1-3H3
InChIKeyLPCBRSMHBKRKDV-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.91
Rot. Bonds7

About [2-(N-methylanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate

[2-(N-methylanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate (PubChem CID 2501259) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is [2-(N-methylanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate.

Molecular Properties

Compound Name[2-(N-methylanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
PubChem CID2501259
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name[2-(N-methylanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)N(C)c2ccccc2)cc1OC
InChIInChI=1S/C19H21NO5/c1-4-24-16-11-10-14(12-17(16)23-3)19(22)25-13-18(21)20(2)15-8-6-5-7-9-15/h5-12H,4,13H2,1-3H3
InChIKeyLPCBRSMHBKRKDV-UHFFFAOYSA-N
XLogP2.91
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2501289
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 7811094
2-(2-methoxy-4-methylphenoxy)-N-methyl-N-phenylacetamide
CID 78765522
[2-(N-methylanilino)-2-oxoethyl] quinoxaline-6-carboxylate
CID 7677118
[2-(N-methylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519333
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 2353432
[2-(N-methylanilino)-2-oxoethyl] 3-methylbenzoate
CID 46860545
propyl 4-ethoxy-3-methoxybenzoate
CID 78907992
[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 55373143
[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 26961717
2-(4-cyano-2-methoxyphenoxy)-N-methyl-N-phenylacetamide
CID 2492423
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561837

Frequently Asked Questions

What is the IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate?
The IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate (CID 2501259) is [2-(N-methylanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate.
What is the SMILES notation for [2-(N-methylanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate?
The canonical SMILES for [2-(N-methylanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate is CCOc1ccc(C(=O)OCC(=O)N(C)c2ccccc2)cc1OC.
What is the InChIKey of [2-(N-methylanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate?
The InChIKey is LPCBRSMHBKRKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-4-24-16-11-10-14(12-17(16)23-3)19(22)25-13-18(21)20(2)15-8-6-5-7-9-15/h5-12H,4,13H2,1-3H3.
What are the key properties of [2-(N-methylanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate?
[2-(N-methylanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate has a molecular weight of 343.38 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-methylanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate is sourced from PubChem (CID 2501259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).