N-(3-phenylpropyl)cyclopropanecarboxamide

C13H17NO — CID 5186226

IUPACN-(3-phenylpropyl)cyclopropanecarboxamide
SMILESO=C(NCCCc1ccccc1)C1CC1
InChIInChI=1S/C13H17NO/c15-13(12-8-9-12)14-10-4-7-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,14,15)
InChIKeyQMXJWCYAYZWVIW-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.15
Rot. Bonds5

About N-(3-phenylpropyl)cyclopropanecarboxamide

N-(3-phenylpropyl)cyclopropanecarboxamide (PubChem CID 5186226) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is N-(3-phenylpropyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)cyclopropanecarboxamide
PubChem CID5186226
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC NameN-(3-phenylpropyl)cyclopropanecarboxamide
SMILESO=C(NCCCc1ccccc1)C1CC1
InChIInChI=1S/C13H17NO/c15-13(12-8-9-12)14-10-4-7-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,14,15)
InChIKeyQMXJWCYAYZWVIW-UHFFFAOYSA-N
XLogP2.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-phenylpropyl)cyclopropanecarboxamide?
The IUPAC name of N-(3-phenylpropyl)cyclopropanecarboxamide (CID 5186226) is N-(3-phenylpropyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(3-phenylpropyl)cyclopropanecarboxamide?
The canonical SMILES for N-(3-phenylpropyl)cyclopropanecarboxamide is O=C(NCCCc1ccccc1)C1CC1.
What is the InChIKey of N-(3-phenylpropyl)cyclopropanecarboxamide?
The InChIKey is QMXJWCYAYZWVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c15-13(12-8-9-12)14-10-4-7-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,14,15).
What are the key properties of N-(3-phenylpropyl)cyclopropanecarboxamide?
N-(3-phenylpropyl)cyclopropanecarboxamide has a molecular weight of 203.29 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)cyclopropanecarboxamide is sourced from PubChem (CID 5186226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).