4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate

C16H15N2O4- — CID 2329031

IUPAC4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate
SMILESCOc1ccccc1NC(=O)CNc1ccc(C(=O)[O-])cc1
InChIInChI=1S/C16H16N2O4/c1-22-14-5-3-2-4-13(14)18-15(19)10-17-12-8-6-11(7-9-12)16(20)21/h2-9,17H,10H2,1H3,(H,18,19)(H,20,21)/p-1
InChIKeyCXAMVWZDVNZJLC-UHFFFAOYSA-M
MW299.31 g/mol
LogP1.11
Rot. Bonds6

About 4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate

4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate (PubChem CID 2329031) has the molecular formula C16H15N2O4- and a molecular weight of 299.31 g/mol. Its IUPAC name is 4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Name4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate
PubChem CID2329031
Molecular FormulaC16H15N2O4-
Molecular Weight299.31 g/mol
Exact Mass299.10
IUPAC Name4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate
SMILESCOc1ccccc1NC(=O)CNc1ccc(C(=O)[O-])cc1
InChIInChI=1S/C16H16N2O4/c1-22-14-5-3-2-4-13(14)18-15(19)10-17-12-8-6-11(7-9-12)16(20)21/h2-9,17H,10H2,1H3,(H,18,19)(H,20,21)/p-1
InChIKeyCXAMVWZDVNZJLC-UHFFFAOYSA-M
XLogP1.11
TPSA90.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoic acid
CID 2329032
4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54835567
3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54842326
2-(4-bromo-3-methylanilino)-N-(2-methoxyphenyl)acetamide
CID 9099476
2-(2-methoxyanilino)-N-phenylacetamide
CID 7636827
3-[4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845563
N-(2-methoxyphenyl)-2-(4-piperidin-1-ylsulfonylanilino)acetamide
CID 9083951
4-[[2-(2-methoxyanilino)-2-oxoethyl]sulfonylmethyl]benzoate
CID 7731697
2-(2,3-dihydro-1H-inden-5-ylamino)-N-(2-methoxyphenyl)acetamide
CID 43826278
ethyl 4-[[2-(2-ethoxyanilino)-2-oxoethyl]amino]benzoate
CID 51178437
methyl 3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzoate
CID 17425229
N-ethyl-4-[[2-(2-methoxyanilino)acetyl]amino]benzamide
CID 54817444

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate?
The IUPAC name of 4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate (CID 2329031) is 4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate.
What is the SMILES notation for 4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate?
The canonical SMILES for 4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate is COc1ccccc1NC(=O)CNc1ccc(C(=O)[O-])cc1.
What is the InChIKey of 4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate?
The InChIKey is CXAMVWZDVNZJLC-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H16N2O4/c1-22-14-5-3-2-4-13(14)18-15(19)10-17-12-8-6-11(7-9-12)16(20)21/h2-9,17H,10H2,1H3,(H,18,19)(H,20,21)/p-1.
What are the key properties of 4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate?
4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate has a molecular weight of 299.31 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 2329031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).