methyl 3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxylate

C19H17NO4 — CID 52943074

IUPACmethyl 3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxylate
SMILESCOC(=O)c1oc2ccccc2c1NC(=O)CCc1ccccc1
InChIInChI=1S/C19H17NO4/c1-23-19(22)18-17(14-9-5-6-10-15(14)24-18)20-16(21)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,20,21)
InChIKeyURHWCSWZWOQZLF-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.79
Rot. Bonds5

About methyl 3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxylate

methyl 3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxylate (PubChem CID 52943074) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is methyl 3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxylate
PubChem CID52943074
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Namemethyl 3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxylate
SMILESCOC(=O)c1oc2ccccc2c1NC(=O)CCc1ccccc1
InChIInChI=1S/C19H17NO4/c1-23-19(22)18-17(14-9-5-6-10-15(14)24-18)20-16(21)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,20,21)
InChIKeyURHWCSWZWOQZLF-UHFFFAOYSA-N
XLogP3.79
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxamide
CID 16814944
methyl 3-[3-(4-bromophenyl)sulfanylpropanoylamino]-1-benzofuran-2-carboxylate
CID 25261499
methyl 3-[[2-(4-methylphenyl)sulfanylacetyl]amino]-1-benzofuran-2-carboxylate
CID 52946972
methyl 3-[(2,2,2-trifluoroacetyl)amino]-1-benzofuran-2-carboxylate
CID 118450174
N-(1,3-benzodioxol-5-yl)-3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxamide
CID 16818279
ethyl 3-(3-phenylsulfanylpropanoylamino)-1-benzofuran-2-carboxylate
CID 4250174
N-(2-benzoyl-1-benzofuran-3-yl)pentanamide
CID 3445962
3-(pentanoylamino)-1-benzofuran-2-carboxamide
CID 7385691
3-phenyl-N-[5-(3-phenylpropanoylamino)naphthalen-1-yl]propanamide
CID 1010239
ethyl 3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxylate
CID 7117067
N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]pentanamide
CID 4289355
N-tert-butyl-3-[(2-methoxyacetyl)amino]-1-benzofuran-2-carboxamide
CID 20925986

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxylate?
The IUPAC name of methyl 3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxylate (CID 52943074) is methyl 3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxylate.
What is the SMILES notation for methyl 3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxylate?
The canonical SMILES for methyl 3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxylate is COC(=O)c1oc2ccccc2c1NC(=O)CCc1ccccc1.
What is the InChIKey of methyl 3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxylate?
The InChIKey is URHWCSWZWOQZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-23-19(22)18-17(14-9-5-6-10-15(14)24-18)20-16(21)12-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,20,21).
What are the key properties of methyl 3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxylate?
methyl 3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxylate is sourced from PubChem (CID 52943074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).