N-[2-(3-methoxypropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide

C20H20N2O4 — CID 6493124

IUPACN-[2-(3-methoxypropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCOCCCNC(=O)c1ccccc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C20H20N2O4/c1-25-12-6-11-21-19(23)15-8-3-4-9-16(15)22-20(24)18-13-14-7-2-5-10-17(14)26-18/h2-5,7-10,13H,6,11-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyZJAAXFHFARUZBQ-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.45
Rot. Bonds7

About N-[2-(3-methoxypropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide

N-[2-(3-methoxypropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 6493124) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[2-(3-methoxypropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxypropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID6493124
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC NameN-[2-(3-methoxypropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCOCCCNC(=O)c1ccccc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C20H20N2O4/c1-25-12-6-11-21-19(23)15-8-3-4-9-16(15)22-20(24)18-13-14-7-2-5-10-17(14)26-18/h2-5,7-10,13H,6,11-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyZJAAXFHFARUZBQ-UHFFFAOYSA-N
XLogP3.45
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 8781761
N-[3-[(2-aminobenzoyl)amino]propyl]-1-benzofuran-2-carboxamide
CID 41448519
1-(1-benzofuran-2-carbonylamino)-3-(3-methoxypropyl)-1-methylthiourea
CID 9329159
N,N'-bis[2-(3-methoxypropylcarbamoyl)phenyl]hexanediamide
CID 17148582
N-[2-(cyclopentylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 17442222
N-[3-(2-bromoethoxy)propyl]-1-benzofuran-2-carboxamide
CID 114171461
2-iodo-N-[2-(3-methoxypropylcarbamoyl)phenyl]-4-methylbenzamide
CID 100525876
N-(3-iodopropyl)-1-benzofuran-2-carboxamide
CID 114504013
N-(3-methoxypropyl)-2-(2-naphthalen-2-yloxybutanoylamino)benzamide
CID 43909098
N-[2-(methylaminomethyl)phenyl]-1-benzofuran-2-carboxamide
CID 43600967
N-[2-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 17311579
N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide
CID 71480807

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(3-methoxypropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide (CID 6493124) is N-[2-(3-methoxypropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(3-methoxypropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(3-methoxypropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide is COCCCNC(=O)c1ccccc1NC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[2-(3-methoxypropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is ZJAAXFHFARUZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-25-12-6-11-21-19(23)15-8-3-4-9-16(15)22-20(24)18-13-14-7-2-5-10-17(14)26-18/h2-5,7-10,13H,6,11-12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-(3-methoxypropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide?
N-[2-(3-methoxypropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 6493124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).