N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]butanamide

C25H31NO2 — CID 18522267

IUPACN-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]butanamide
SMILESCCCC(=O)NCCCc1cccc2oc(CCCCc3ccccc3)cc12
InChIInChI=1S/C25H31NO2/c1-2-10-25(27)26-18-9-15-21-14-8-17-24-23(21)19-22(28-24)16-7-6-13-20-11-4-3-5-12-20/h3-5,8,11-12,14,17,19H,2,6-7,9-10,13,15-16,18H2,1H3,(H,26,27)
InChIKeyMJMKBQJFOJZMIB-UHFFFAOYSA-N
MW377.53 g/mol
LogP5.85
Rot. Bonds11

About N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]butanamide

N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]butanamide (PubChem CID 18522267) has the molecular formula C25H31NO2 and a molecular weight of 377.53 g/mol. Its IUPAC name is N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]butanamide.

Molecular Properties

Compound NameN-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]butanamide
PubChem CID18522267
Molecular FormulaC25H31NO2
Molecular Weight377.53 g/mol
Exact Mass377.24
IUPAC NameN-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]butanamide
SMILESCCCC(=O)NCCCc1cccc2oc(CCCCc3ccccc3)cc12
InChIInChI=1S/C25H31NO2/c1-2-10-25(27)26-18-9-15-21-14-8-17-24-23(21)19-22(28-24)16-7-6-13-20-11-4-3-5-12-20/h3-5,8,11-12,14,17,19H,2,6-7,9-10,13,15-16,18H2,1H3,(H,26,27)
InChIKeyMJMKBQJFOJZMIB-UHFFFAOYSA-N
XLogP5.85
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]butanamide?
The IUPAC name of N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]butanamide (CID 18522267) is N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]butanamide.
What is the SMILES notation for N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]butanamide?
The canonical SMILES for N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]butanamide is CCCC(=O)NCCCc1cccc2oc(CCCCc3ccccc3)cc12.
What is the InChIKey of N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]butanamide?
The InChIKey is MJMKBQJFOJZMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO2/c1-2-10-25(27)26-18-9-15-21-14-8-17-24-23(21)19-22(28-24)16-7-6-13-20-11-4-3-5-12-20/h3-5,8,11-12,14,17,19H,2,6-7,9-10,13,15-16,18H2,1H3,(H,26,27).
What are the key properties of N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]butanamide?
N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]butanamide has a molecular weight of 377.53 g/mol, XLogP of 5.85, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]butanamide is sourced from PubChem (CID 18522267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).