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

C19H20N2O4 — CID 17202591

IUPACmethyl 3-[[4-(butanoylamino)phenyl]carbamoyl]benzoate
SMILESCCCC(=O)Nc1ccc(NC(=O)c2cccc(C(=O)OC)c2)cc1
InChIInChI=1S/C19H20N2O4/c1-3-5-17(22)20-15-8-10-16(11-9-15)21-18(23)13-6-4-7-14(12-13)19(24)25-2/h4,6-12H,3,5H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyUPGQFBFIEQIZSI-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.46
Rot. Bonds6

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

methyl 3-[[4-(butanoylamino)phenyl]carbamoyl]benzoate (PubChem CID 17202591) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is methyl 3-[[4-(butanoylamino)phenyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[4-(butanoylamino)phenyl]carbamoyl]benzoate
PubChem CID17202591
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Namemethyl 3-[[4-(butanoylamino)phenyl]carbamoyl]benzoate
SMILESCCCC(=O)Nc1ccc(NC(=O)c2cccc(C(=O)OC)c2)cc1
InChIInChI=1S/C19H20N2O4/c1-3-5-17(22)20-15-8-10-16(11-9-15)21-18(23)13-6-4-7-14(12-13)19(24)25-2/h4,6-12H,3,5H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyUPGQFBFIEQIZSI-UHFFFAOYSA-N
XLogP3.46
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[4-(propanoylamino)phenyl]carbamoyl]benzoate
CID 17204969
methyl 3-(butanoylcarbamoyl)benzoate
CID 70445624
methyl 3-[(4-acetamidophenyl)carbamoyl]benzoate
CID 17175145
methyl 3-[[4-(3-methylbutanoylamino)phenyl]carbamoyl]benzoate
CID 17194141
N-[4-(butanoylamino)phenyl]-3-ethoxybenzamide
CID 876127
methyl 3-[(4-carbamoylphenyl)carbamoyl]benzoate
CID 17175176
N-[4-(butanoylamino)phenyl]-2,6-dimethoxybenzamide
CID 954631
methyl 3-[(4-nitrophenyl)carbamoyl]benzoate
CID 17175216
methyl 3-(decanoylamino)benzoate
CID 142485980
methyl 3-[(4-prop-2-enoxyphenyl)carbamoyl]benzoate
CID 17175313
methyl 4-[(3-propoxybenzoyl)amino]benzoate
CID 2293242
N-[4-(butanoylamino)phenyl]-3-(2-phenylethoxy)benzamide
CID 17202577

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-(butanoylamino)phenyl]carbamoyl]benzoate?
The IUPAC name of methyl 3-[[4-(butanoylamino)phenyl]carbamoyl]benzoate (CID 17202591) is methyl 3-[[4-(butanoylamino)phenyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 3-[[4-(butanoylamino)phenyl]carbamoyl]benzoate?
The canonical SMILES for methyl 3-[[4-(butanoylamino)phenyl]carbamoyl]benzoate is CCCC(=O)Nc1ccc(NC(=O)c2cccc(C(=O)OC)c2)cc1.
What is the InChIKey of methyl 3-[[4-(butanoylamino)phenyl]carbamoyl]benzoate?
The InChIKey is UPGQFBFIEQIZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-3-5-17(22)20-15-8-10-16(11-9-15)21-18(23)13-6-4-7-14(12-13)19(24)25-2/h4,6-12H,3,5H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of methyl 3-[[4-(butanoylamino)phenyl]carbamoyl]benzoate?
methyl 3-[[4-(butanoylamino)phenyl]carbamoyl]benzoate has a molecular weight of 340.38 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-(butanoylamino)phenyl]carbamoyl]benzoate is sourced from PubChem (CID 17202591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).