N-(heptylcarbamoyl)-1-benzofuran-2-carboxamide

C17H22N2O3 — CID 59786869

IUPACN-(heptylcarbamoyl)-1-benzofuran-2-carboxamide
SMILESCCCCCCCNC(=O)NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C17H22N2O3/c1-2-3-4-5-8-11-18-17(21)19-16(20)15-12-13-9-6-7-10-14(13)22-15/h6-7,9-10,12H,2-5,8,11H2,1H3,(H2,18,19,20,21)
InChIKeyZFWOMXHGRXJMST-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.84
Rot. Bonds7

About N-(heptylcarbamoyl)-1-benzofuran-2-carboxamide

N-(heptylcarbamoyl)-1-benzofuran-2-carboxamide (PubChem CID 59786869) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-(heptylcarbamoyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(heptylcarbamoyl)-1-benzofuran-2-carboxamide
PubChem CID59786869
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-(heptylcarbamoyl)-1-benzofuran-2-carboxamide
SMILESCCCCCCCNC(=O)NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C17H22N2O3/c1-2-3-4-5-8-11-18-17(21)19-16(20)15-12-13-9-6-7-10-14(13)22-15/h6-7,9-10,12H,2-5,8,11H2,1H3,(H2,18,19,20,21)
InChIKeyZFWOMXHGRXJMST-UHFFFAOYSA-N
XLogP3.84
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-benzofuran-2-carbonylamino)-3-pentylthiourea
CID 9220418
5-amino-N-octyl-1-benzofuran-2-carboxamide
CID 115565943
N-(3-iodopropyl)-1-benzofuran-2-carboxamide
CID 114504013
5-bromo-N-pentyl-1-benzofuran-2-carboxamide
CID 19225268
N-[2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62659751
N-[3-[(2-aminobenzoyl)amino]propyl]-1-benzofuran-2-carboxamide
CID 41448519
2-[1-(1-benzofuran-2-yl)ethenylamino]oxy-N-butylacetamide
CID 2127938
N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 40623926
N-prop-2-ynyl-1-benzofuran-2-carboxamide
CID 60646228
N-hexyl-7-methoxy-1-benzofuran-2-carboxamide
CID 78870029
2-N,6-N-bis(butylcarbamoyl)pyridine-2,6-dicarboxamide
CID 139129379
N-(2-chloropropyl)-1-benzofuran-2-carboxamide
CID 114296217

Frequently Asked Questions

What is the IUPAC name of N-(heptylcarbamoyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(heptylcarbamoyl)-1-benzofuran-2-carboxamide (CID 59786869) is N-(heptylcarbamoyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(heptylcarbamoyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(heptylcarbamoyl)-1-benzofuran-2-carboxamide is CCCCCCCNC(=O)NC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-(heptylcarbamoyl)-1-benzofuran-2-carboxamide?
The InChIKey is ZFWOMXHGRXJMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-2-3-4-5-8-11-18-17(21)19-16(20)15-12-13-9-6-7-10-14(13)22-15/h6-7,9-10,12H,2-5,8,11H2,1H3,(H2,18,19,20,21).
What are the key properties of N-(heptylcarbamoyl)-1-benzofuran-2-carboxamide?
N-(heptylcarbamoyl)-1-benzofuran-2-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(heptylcarbamoyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 59786869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).