5-methoxy-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide

C21H23N3O4 — CID 166635500

IUPAC5-methoxy-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
SMILESCCCNNC(=O)c1ccc(CNC(=O)c2cc3cc(OC)ccc3o2)cc1
InChIInChI=1S/C21H23N3O4/c1-3-10-23-24-20(25)15-6-4-14(5-7-15)13-22-21(26)19-12-16-11-17(27-2)8-9-18(16)28-19/h4-9,11-12,23H,3,10,13H2,1-2H3,(H,22,26)(H,24,25)
InChIKeySYPKKUUHHMPTPA-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.02
Rot. Bonds8

About 5-methoxy-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide

5-methoxy-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 166635500) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 5-methoxy-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
PubChem CID166635500
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name5-methoxy-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
SMILESCCCNNC(=O)c1ccc(CNC(=O)c2cc3cc(OC)ccc3o2)cc1
InChIInChI=1S/C21H23N3O4/c1-3-10-23-24-20(25)15-6-4-14(5-7-15)13-22-21(26)19-12-16-11-17(27-2)8-9-18(16)28-19/h4-9,11-12,23H,3,10,13H2,1-2H3,(H,22,26)(H,24,25)
InChIKeySYPKKUUHHMPTPA-UHFFFAOYSA-N
XLogP3.02
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CL82198
CID 2777
N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 2788390
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 725650
5-bromo-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 166627468
Hdac3-IN-8
CID 166628045
5-hydroxy-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 166631314
5-chloro-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 166635378
5-fluoro-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 166635529
5-prop-2-enoxy-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 166636412
7-methoxy-N-(2-morpholinoethyl)benzofuran-2-carboxamide
CID 6472686
N-hydroxy-4-[2-(benzofuran-2-yl-carbonylamino)-ethoxy]-benzamide
CID 24971310
5-methoxy-N-[1-[[(2S)-5-[4-(oxan-4-ylmethyl)piperazin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-1-benzofuran-2-carboxamide
CID 46238229

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-methoxy-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide (CID 166635500) is 5-methoxy-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-methoxy-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-methoxy-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide is CCCNNC(=O)c1ccc(CNC(=O)c2cc3cc(OC)ccc3o2)cc1.
What is the InChIKey of 5-methoxy-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is SYPKKUUHHMPTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-3-10-23-24-20(25)15-6-4-14(5-7-15)13-22-21(26)19-12-16-11-17(27-2)8-9-18(16)28-19/h4-9,11-12,23H,3,10,13H2,1-2H3,(H,22,26)(H,24,25).
What are the key properties of 5-methoxy-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
5-methoxy-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 3.02, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 166635500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).