methyl 3-[[4-(propanoylamino)phenyl]carbamoyl]benzoate

C18H18N2O4 — CID 17204969

IUPACmethyl 3-[[4-(propanoylamino)phenyl]carbamoyl]benzoate
SMILESCCC(=O)Nc1ccc(NC(=O)c2cccc(C(=O)OC)c2)cc1
InChIInChI=1S/C18H18N2O4/c1-3-16(21)19-14-7-9-15(10-8-14)20-17(22)12-5-4-6-13(11-12)18(23)24-2/h4-11H,3H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyCSFUNDQNYWDPJF-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.07
Rot. Bonds5

About methyl 3-[[4-(propanoylamino)phenyl]carbamoyl]benzoate

methyl 3-[[4-(propanoylamino)phenyl]carbamoyl]benzoate (PubChem CID 17204969) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is methyl 3-[[4-(propanoylamino)phenyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[4-(propanoylamino)phenyl]carbamoyl]benzoate
PubChem CID17204969
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Namemethyl 3-[[4-(propanoylamino)phenyl]carbamoyl]benzoate
SMILESCCC(=O)Nc1ccc(NC(=O)c2cccc(C(=O)OC)c2)cc1
InChIInChI=1S/C18H18N2O4/c1-3-16(21)19-14-7-9-15(10-8-14)20-17(22)12-5-4-6-13(11-12)18(23)24-2/h4-11H,3H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyCSFUNDQNYWDPJF-UHFFFAOYSA-N
XLogP3.07
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[4-(butanoylamino)phenyl]carbamoyl]benzoate
CID 17202591
methyl 3-[(4-acetamidophenyl)carbamoyl]benzoate
CID 17175145
methyl 3-[[4-(3-methylbutanoylamino)phenyl]carbamoyl]benzoate
CID 17194141
methyl 3-[[3-(propanoylamino)phenyl]carbamothioylcarbamoyl]benzoate
CID 17188675
methyl 3-[(4-carbamoylphenyl)carbamoyl]benzoate
CID 17175176
N-(4-acetamidophenyl)-3-(propanoylamino)benzamide
CID 17309669
dimethyl 2-[[3-(propanoylamino)benzoyl]amino]benzene-1,4-dicarboxylate
CID 17309543
[3-[[4-(propanoylamino)phenyl]carbamoyl]phenyl] acetate
CID 108927681
methyl 3-[(4-nitrophenyl)carbamoyl]benzoate
CID 17175216
methyl 3-[(4-prop-2-enoxyphenyl)carbamoyl]benzoate
CID 17175313
methyl 3-(naphthalen-2-ylcarbamoyl)benzoate
CID 17232043
methyl 3-[[4-(benzylcarbamoyl)phenyl]carbamoyl]benzoate
CID 28640040

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-(propanoylamino)phenyl]carbamoyl]benzoate?
The IUPAC name of methyl 3-[[4-(propanoylamino)phenyl]carbamoyl]benzoate (CID 17204969) is methyl 3-[[4-(propanoylamino)phenyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 3-[[4-(propanoylamino)phenyl]carbamoyl]benzoate?
The canonical SMILES for methyl 3-[[4-(propanoylamino)phenyl]carbamoyl]benzoate is CCC(=O)Nc1ccc(NC(=O)c2cccc(C(=O)OC)c2)cc1.
What is the InChIKey of methyl 3-[[4-(propanoylamino)phenyl]carbamoyl]benzoate?
The InChIKey is CSFUNDQNYWDPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-3-16(21)19-14-7-9-15(10-8-14)20-17(22)12-5-4-6-13(11-12)18(23)24-2/h4-11H,3H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of methyl 3-[[4-(propanoylamino)phenyl]carbamoyl]benzoate?
methyl 3-[[4-(propanoylamino)phenyl]carbamoyl]benzoate has a molecular weight of 326.35 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-(propanoylamino)phenyl]carbamoyl]benzoate is sourced from PubChem (CID 17204969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).