ethyl 2-[(2-ethoxy-2-oxoethyl)amino]-6-methylbenzoate

C14H19NO4 — CID 10706801

IUPACethyl 2-[(2-ethoxy-2-oxoethyl)amino]-6-methylbenzoate
SMILESCCOC(=O)CNc1cccc(C)c1C(=O)OCC
InChIInChI=1S/C14H19NO4/c1-4-18-12(16)9-15-11-8-6-7-10(3)13(11)14(17)19-5-2/h6-8,15H,4-5,9H2,1-3H3
InChIKeyYUGYUORXMMIMMR-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.15
Rot. Bonds6

About ethyl 2-[(2-ethoxy-2-oxoethyl)amino]-6-methylbenzoate

ethyl 2-[(2-ethoxy-2-oxoethyl)amino]-6-methylbenzoate (PubChem CID 10706801) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 2-[(2-ethoxy-2-oxoethyl)amino]-6-methylbenzoate.

Molecular Properties

Compound Nameethyl 2-[(2-ethoxy-2-oxoethyl)amino]-6-methylbenzoate
PubChem CID10706801
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nameethyl 2-[(2-ethoxy-2-oxoethyl)amino]-6-methylbenzoate
SMILESCCOC(=O)CNc1cccc(C)c1C(=O)OCC
InChIInChI=1S/C14H19NO4/c1-4-18-12(16)9-15-11-8-6-7-10(3)13(11)14(17)19-5-2/h6-8,15H,4-5,9H2,1-3H3
InChIKeyYUGYUORXMMIMMR-UHFFFAOYSA-N
XLogP2.15
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-bromo-6-[(2-ethoxy-2-oxoethyl)amino]benzoate
CID 10592499
ethyl 2,6-dimethylbenzoate
CID 520807
ethyl 2-(2-ethylanilino)acetate
CID 28583397
methyl 2-(ethylamino)-6-methylbenzoate
CID 130734584
ethyl 2-(2-chloro-6-methylanilino)acetate
CID 66252153
ethyl 2-(2,4,5-trimethylanilino)acetate
CID 115257207
2-(diethylamino)ethyl 2-(ethylamino)-6-methylbenzoate;dihydrochloride
CID 13478121
ethyl 2-(3-bromo-2-cyanoanilino)acetate
CID 114880656
ethyl 2-(aminomethyl)-6-methylbenzoate;hydrochloride
CID 121231840
ethyl 2-methyl-6-methylsulfanylbenzoate
CID 91880992
ethyl 2-methyl-6-(2-oxopropyl)benzoate
CID 134632319
ethyl 2-(5-bromo-2-methylanilino)acetate
CID 43806067

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-ethoxy-2-oxoethyl)amino]-6-methylbenzoate?
The IUPAC name of ethyl 2-[(2-ethoxy-2-oxoethyl)amino]-6-methylbenzoate (CID 10706801) is ethyl 2-[(2-ethoxy-2-oxoethyl)amino]-6-methylbenzoate.
What is the SMILES notation for ethyl 2-[(2-ethoxy-2-oxoethyl)amino]-6-methylbenzoate?
The canonical SMILES for ethyl 2-[(2-ethoxy-2-oxoethyl)amino]-6-methylbenzoate is CCOC(=O)CNc1cccc(C)c1C(=O)OCC.
What is the InChIKey of ethyl 2-[(2-ethoxy-2-oxoethyl)amino]-6-methylbenzoate?
The InChIKey is YUGYUORXMMIMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-18-12(16)9-15-11-8-6-7-10(3)13(11)14(17)19-5-2/h6-8,15H,4-5,9H2,1-3H3.
What are the key properties of ethyl 2-[(2-ethoxy-2-oxoethyl)amino]-6-methylbenzoate?
ethyl 2-[(2-ethoxy-2-oxoethyl)amino]-6-methylbenzoate has a molecular weight of 265.31 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-ethoxy-2-oxoethyl)amino]-6-methylbenzoate is sourced from PubChem (CID 10706801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).