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

C24H27NO2 — CID 18522226

IUPACN-[3-[2-(3-phenylpropyl)-1-benzofuran-3-yl]propyl]cyclopropanecarboxamide
SMILESO=C(NCCCc1c(CCCc2ccccc2)oc2ccccc12)C1CC1
InChIInChI=1S/C24H27NO2/c26-24(19-15-16-19)25-17-7-12-21-20-11-4-5-13-22(20)27-23(21)14-6-10-18-8-2-1-3-9-18/h1-5,8-9,11,13,19H,6-7,10,12,14-17H2,(H,25,26)
InChIKeyQEOBSUDOGLXLQG-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.07
Rot. Bonds9

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

N-[3-[2-(3-phenylpropyl)-1-benzofuran-3-yl]propyl]cyclopropanecarboxamide (PubChem CID 18522226) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[3-[2-(3-phenylpropyl)-1-benzofuran-3-yl]propyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-(3-phenylpropyl)-1-benzofuran-3-yl]propyl]cyclopropanecarboxamide
PubChem CID18522226
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC NameN-[3-[2-(3-phenylpropyl)-1-benzofuran-3-yl]propyl]cyclopropanecarboxamide
SMILESO=C(NCCCc1c(CCCc2ccccc2)oc2ccccc12)C1CC1
InChIInChI=1S/C24H27NO2/c26-24(19-15-16-19)25-17-7-12-21-20-11-4-5-13-22(20)27-23(21)14-6-10-18-8-2-1-3-9-18/h1-5,8-9,11,13,19H,6-7,10,12,14-17H2,(H,25,26)
InChIKeyQEOBSUDOGLXLQG-UHFFFAOYSA-N
XLogP5.07
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.07
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

1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46773938
4-N-tert-butyl-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109149515
4-N-(2-methylphenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109149525
4-N-(furan-2-ylmethyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109147782
4-N-(2-fluorophenyl)-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109149531
4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109148357
N-[2-(3-phenylpropanoylamino)ethyl]cyclopropanecarboxamide
CID 51165684
4-N-[(3-methylphenyl)methyl]-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148068
1-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 8795286
(2S,4S)-2-methyl-6-oxo-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 97347627
N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578103
cis-(1R,2S)-2-methyl-N-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 94014482

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3-phenylpropyl)-1-benzofuran-3-yl]propyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[2-(3-phenylpropyl)-1-benzofuran-3-yl]propyl]cyclopropanecarboxamide (CID 18522226) is N-[3-[2-(3-phenylpropyl)-1-benzofuran-3-yl]propyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[2-(3-phenylpropyl)-1-benzofuran-3-yl]propyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[2-(3-phenylpropyl)-1-benzofuran-3-yl]propyl]cyclopropanecarboxamide is O=C(NCCCc1c(CCCc2ccccc2)oc2ccccc12)C1CC1.
What is the InChIKey of N-[3-[2-(3-phenylpropyl)-1-benzofuran-3-yl]propyl]cyclopropanecarboxamide?
The InChIKey is QEOBSUDOGLXLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c26-24(19-15-16-19)25-17-7-12-21-20-11-4-5-13-22(20)27-23(21)14-6-10-18-8-2-1-3-9-18/h1-5,8-9,11,13,19H,6-7,10,12,14-17H2,(H,25,26).
What are the key properties of N-[3-[2-(3-phenylpropyl)-1-benzofuran-3-yl]propyl]cyclopropanecarboxamide?
N-[3-[2-(3-phenylpropyl)-1-benzofuran-3-yl]propyl]cyclopropanecarboxamide has a molecular weight of 361.49 g/mol, XLogP of 5.07, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3-phenylpropyl)-1-benzofuran-3-yl]propyl]cyclopropanecarboxamide is sourced from PubChem (CID 18522226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).