methyl 4-[[2-(2-carbamoylanilino)acetyl]amino]benzoate

C17H17N3O4 — CID 30637236

IUPACmethyl 4-[[2-(2-carbamoylanilino)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CNc2ccccc2C(N)=O)cc1
InChIInChI=1S/C17H17N3O4/c1-24-17(23)11-6-8-12(9-7-11)20-15(21)10-19-14-5-3-2-4-13(14)16(18)22/h2-9,19H,10H2,1H3,(H2,18,22)(H,20,21)
InChIKeyZDRLZTOCTZNQLF-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.62
Rot. Bonds6

About methyl 4-[[2-(2-carbamoylanilino)acetyl]amino]benzoate

methyl 4-[[2-(2-carbamoylanilino)acetyl]amino]benzoate (PubChem CID 30637236) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is methyl 4-[[2-(2-carbamoylanilino)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(2-carbamoylanilino)acetyl]amino]benzoate
PubChem CID30637236
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Namemethyl 4-[[2-(2-carbamoylanilino)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CNc2ccccc2C(N)=O)cc1
InChIInChI=1S/C17H17N3O4/c1-24-17(23)11-6-8-12(9-7-11)20-15(21)10-19-14-5-3-2-4-13(14)16(18)22/h2-9,19H,10H2,1H3,(H2,18,22)(H,20,21)
InChIKeyZDRLZTOCTZNQLF-UHFFFAOYSA-N
XLogP1.62
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(4-ethylanilino)-2-oxoethyl]amino]benzamide
CID 16606561
2-[[2-(4-butoxyanilino)-2-oxoethyl]amino]benzamide
CID 54811984
ethyl 2-[[2-(4-acetylanilino)-2-oxoethyl]amino]benzoate
CID 109009916
methyl 4-[[2-[2-(trifluoromethoxy)anilino]acetyl]amino]benzoate
CID 30644453
3-[(2-anilino-2-oxoethyl)amino]-2-methylbenzamide
CID 60537419
ethyl 2-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]amino]benzoate
CID 109010102
methyl 4-[[2-[2-(diethylaminomethyl)anilino]acetyl]amino]benzoate
CID 60536782
2-[[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54811917
methyl 3-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]benzoate
CID 36587024
methyl 4-[[2-(4-methylanilino)-2-oxoethyl]amino]benzoate
CID 7636745
methyl 4-[[2-(2-cyclopentyloxyanilino)acetyl]amino]benzoate
CID 60536886
4-[[2-(2-tert-butylanilino)acetyl]amino]benzamide
CID 46511009

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2-carbamoylanilino)acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(2-carbamoylanilino)acetyl]amino]benzoate (CID 30637236) is methyl 4-[[2-(2-carbamoylanilino)acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(2-carbamoylanilino)acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(2-carbamoylanilino)acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)CNc2ccccc2C(N)=O)cc1.
What is the InChIKey of methyl 4-[[2-(2-carbamoylanilino)acetyl]amino]benzoate?
The InChIKey is ZDRLZTOCTZNQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-24-17(23)11-6-8-12(9-7-11)20-15(21)10-19-14-5-3-2-4-13(14)16(18)22/h2-9,19H,10H2,1H3,(H2,18,22)(H,20,21).
What are the key properties of methyl 4-[[2-(2-carbamoylanilino)acetyl]amino]benzoate?
methyl 4-[[2-(2-carbamoylanilino)acetyl]amino]benzoate has a molecular weight of 327.34 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(2-carbamoylanilino)acetyl]amino]benzoate is sourced from PubChem (CID 30637236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).