[3-(2-benzamidoethyl)-1-benzofuran-5-yl]carbamic acid

C18H16N2O4 — CID 141014221

IUPAC[3-(2-benzamidoethyl)-1-benzofuran-5-yl]carbamic acid
SMILESO=C(O)Nc1ccc2occ(CCNC(=O)c3ccccc3)c2c1
InChIInChI=1S/C18H16N2O4/c21-17(12-4-2-1-3-5-12)19-9-8-13-11-24-16-7-6-14(10-15(13)16)20-18(22)23/h1-7,10-11,20H,8-9H2,(H,19,21)(H,22,23)
InChIKeyJPSPCNMNWYBDFM-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.50
Rot. Bonds5

About [3-(2-benzamidoethyl)-1-benzofuran-5-yl]carbamic acid

[3-(2-benzamidoethyl)-1-benzofuran-5-yl]carbamic acid (PubChem CID 141014221) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is [3-(2-benzamidoethyl)-1-benzofuran-5-yl]carbamic acid.

Molecular Properties

Compound Name[3-(2-benzamidoethyl)-1-benzofuran-5-yl]carbamic acid
PubChem CID141014221
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name[3-(2-benzamidoethyl)-1-benzofuran-5-yl]carbamic acid
SMILESO=C(O)Nc1ccc2occ(CCNC(=O)c3ccccc3)c2c1
InChIInChI=1S/C18H16N2O4/c21-17(12-4-2-1-3-5-12)19-9-8-13-11-24-16-7-6-14(10-15(13)16)20-18(22)23/h1-7,10-11,20H,8-9H2,(H,19,21)(H,22,23)
InChIKeyJPSPCNMNWYBDFM-UHFFFAOYSA-N
XLogP3.50
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-hydroxy-1-benzofuran-3-yl)ethyl]-2-phenylacetamide
CID 15354942
2-(5-iodo-1-benzofuran-3-yl)ethylcarbamic acid
CID 70922156
N-[2-(1-benzofuran-3-yl)ethyl]pyridine-3-carboxamide
CID 110872276
3-(2-acetamidoethyl)-1-benzofuran-5-carboxylic acid
CID 69410961
methyl N-[3-[2-(cyclopropanecarbonylamino)ethyl]-1-benzofuran-5-yl]carbamate
CID 25014882
2-(5-methyl-1-benzofuran-3-yl)-N-(2-phenylethyl)acetamide
CID 18872386
(4-benzamidophenyl)carbamic acid
CID 18543096
N-[2-(1-benzofuran-3-yl)ethyl]-2-hydroxypropanamide
CID 115140987
2-(1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 110485842
N-(3-acetylphenyl)-2-(5-methyl-1-benzofuran-3-yl)acetamide
CID 18872372
N-[2-(5-butyl-1-benzofuran-3-yl)ethyl]pentanamide
CID 21460962
N-[2-(2,5-difluorophenyl)ethyl]benzamide
CID 110788162

Frequently Asked Questions

What is the IUPAC name of [3-(2-benzamidoethyl)-1-benzofuran-5-yl]carbamic acid?
The IUPAC name of [3-(2-benzamidoethyl)-1-benzofuran-5-yl]carbamic acid (CID 141014221) is [3-(2-benzamidoethyl)-1-benzofuran-5-yl]carbamic acid.
What is the SMILES notation for [3-(2-benzamidoethyl)-1-benzofuran-5-yl]carbamic acid?
The canonical SMILES for [3-(2-benzamidoethyl)-1-benzofuran-5-yl]carbamic acid is O=C(O)Nc1ccc2occ(CCNC(=O)c3ccccc3)c2c1.
What is the InChIKey of [3-(2-benzamidoethyl)-1-benzofuran-5-yl]carbamic acid?
The InChIKey is JPSPCNMNWYBDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c21-17(12-4-2-1-3-5-12)19-9-8-13-11-24-16-7-6-14(10-15(13)16)20-18(22)23/h1-7,10-11,20H,8-9H2,(H,19,21)(H,22,23).
What are the key properties of [3-(2-benzamidoethyl)-1-benzofuran-5-yl]carbamic acid?
[3-(2-benzamidoethyl)-1-benzofuran-5-yl]carbamic acid has a molecular weight of 324.34 g/mol, XLogP of 3.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-benzamidoethyl)-1-benzofuran-5-yl]carbamic acid is sourced from PubChem (CID 141014221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).