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

C25H29NO2 — CID 18522272

IUPACN-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]cyclopropanecarboxamide
SMILESO=C(NCCCc1cccc2oc(CCCCc3ccccc3)cc12)C1CC1
InChIInChI=1S/C25H29NO2/c27-25(21-15-16-21)26-17-7-12-20-11-6-14-24-23(20)18-22(28-24)13-5-4-10-19-8-2-1-3-9-19/h1-3,6,8-9,11,14,18,21H,4-5,7,10,12-13,15-17H2,(H,26,27)
InChIKeyQAMNYTNCMIAKDT-UHFFFAOYSA-N
MW375.51 g/mol
LogP5.46
Rot. Bonds10

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

N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]cyclopropanecarboxamide (PubChem CID 18522272) has the molecular formula C25H29NO2 and a molecular weight of 375.51 g/mol. Its IUPAC name is N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]cyclopropanecarboxamide
PubChem CID18522272
Molecular FormulaC25H29NO2
Molecular Weight375.51 g/mol
Exact Mass375.22
IUPAC NameN-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]cyclopropanecarboxamide
SMILESO=C(NCCCc1cccc2oc(CCCCc3ccccc3)cc12)C1CC1
InChIInChI=1S/C25H29NO2/c27-25(21-15-16-21)26-17-7-12-20-11-6-14-24-23(20)18-22(28-24)13-5-4-10-19-8-2-1-3-9-19/h1-3,6,8-9,11,14,18,21H,4-5,7,10,12-13,15-17H2,(H,26,27)
InChIKeyQAMNYTNCMIAKDT-UHFFFAOYSA-N
XLogP5.46
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.51
LogP ≤ 55.46
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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Related Compounds

S24014
CID 9998187
N-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzofuran-4-yl]benzamide
CID 44623954
N-[2-(5-Methoxy-2-phenyl-benzofuran-3-yl)-ethyl]-acetamide
CID 9839629
N-[2-(2-Benzyl-5-methoxy-benzofuran-3-yl)-ethyl]-acrylamide
CID 9884156
N-{2-[2-(3-Fluoro-benzyl)-5-methoxy-benzofuran-3-yl]-ethyl}-acetamide
CID 9884406
N-[2-(2-Benzyl-5-methoxy-benzofuran-3-yl)-ethyl]-acetamide
CID 9927219
But-3-enoic acid [2-(5-methoxy-2-phenyl-benzofuran-3-yl)-ethyl]-amide
CID 10925712
But-3-enoic acid [2-(2-benzyl-5-methoxy-benzofuran-3-yl)-ethyl]-amide
CID 10926138
N-{(1R,2R)-2-[(R)-2-(4-Phenyl-butyl)-2,3-dihydro-benzofuran-4-yl]-cyclopropylmethyl}-acetamide
CID 11581340
N-[2-(5-Methoxy-2-phenyl-benzofuran-3-yl)-ethyl]-acrylamide
CID 11723593
N-[2-(2-Benzyl-5-methoxy-benzofuran-3-yl)-ethyl]-2-iodo-acetamide
CID 11733059
N-[2-(2-Benzyl-5-methoxy-benzofuran-3-yl)-ethyl]-butyramide
CID 11810280

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]cyclopropanecarboxamide (CID 18522272) is N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]cyclopropanecarboxamide is O=C(NCCCc1cccc2oc(CCCCc3ccccc3)cc12)C1CC1.
What is the InChIKey of N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]cyclopropanecarboxamide?
The InChIKey is QAMNYTNCMIAKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO2/c27-25(21-15-16-21)26-17-7-12-20-11-6-14-24-23(20)18-22(28-24)13-5-4-10-19-8-2-1-3-9-19/h1-3,6,8-9,11,14,18,21H,4-5,7,10,12-13,15-17H2,(H,26,27).
What are the key properties of N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]cyclopropanecarboxamide?
N-[3-[2-(4-phenylbutyl)-1-benzofuran-4-yl]propyl]cyclopropanecarboxamide has a molecular weight of 375.51 g/mol, XLogP of 5.46, 10 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]cyclopropanecarboxamide is sourced from PubChem (CID 18522272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).