3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide

C16H17N3O3 — CID 54842326

IUPAC3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide
SMILESCOc1ccccc1NC(=O)CNc1cccc(C(N)=O)c1
InChIInChI=1S/C16H17N3O3/c1-22-14-8-3-2-7-13(14)19-15(20)10-18-12-6-4-5-11(9-12)16(17)21/h2-9,18H,10H2,1H3,(H2,17,21)(H,19,20)
InChIKeyJOJSMVLBEUBLQY-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.84
Rot. Bonds6

About 3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide

3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide (PubChem CID 54842326) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide
PubChem CID54842326
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide
SMILESCOc1ccccc1NC(=O)CNc1cccc(C(N)=O)c1
InChIInChI=1S/C16H17N3O3/c1-22-14-8-3-2-7-13(14)19-15(20)10-18-12-6-4-5-11(9-12)16(17)21/h2-9,18H,10H2,1H3,(H2,17,21)(H,19,20)
InChIKeyJOJSMVLBEUBLQY-UHFFFAOYSA-N
XLogP1.84
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-carbamoylphenyl)-N'-(2-methoxyphenyl)propanediamide
CID 50875903
N-ethyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54838041
2-[[2-(3-carbamoylanilino)acetyl]amino]benzamide
CID 54842453
3-[[2-(3-methoxyanilino)acetyl]amino]benzamide
CID 54814576
3-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzamide
CID 54842256
3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide
CID 54842293
N-(2-methoxyphenyl)-2-(3-nitroanilino)acetamide
CID 9081418
N-(2-methoxyphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide
CID 54823826
4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoic acid
CID 2329032
2-(4-bromo-3-methylanilino)-N-(2-methoxyphenyl)acetamide
CID 9099476
4-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate
CID 2329031
2-(2-methoxyanilino)-N-phenylacetamide
CID 7636827

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide?
The IUPAC name of 3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide (CID 54842326) is 3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for 3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide is COc1ccccc1NC(=O)CNc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide?
The InChIKey is JOJSMVLBEUBLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-22-14-8-3-2-7-13(14)19-15(20)10-18-12-6-4-5-11(9-12)16(17)21/h2-9,18H,10H2,1H3,(H2,17,21)(H,19,20).
What are the key properties of 3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide?
3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide has a molecular weight of 299.33 g/mol, XLogP of 1.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54842326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).