N-(3-phenylpropyl)oxane-4-carboxamide

C15H21NO2 — CID 51354589

IUPACN-(3-phenylpropyl)oxane-4-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCOCC1
InChIInChI=1S/C15H21NO2/c17-15(14-8-11-18-12-9-14)16-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,16,17)
InChIKeyCQYPDZMPYBTPQN-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.16
Rot. Bonds5

About N-(3-phenylpropyl)oxane-4-carboxamide

N-(3-phenylpropyl)oxane-4-carboxamide (PubChem CID 51354589) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(3-phenylpropyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)oxane-4-carboxamide
PubChem CID51354589
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(3-phenylpropyl)oxane-4-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCOCC1
InChIInChI=1S/C15H21NO2/c17-15(14-8-11-18-12-9-14)16-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,16,17)
InChIKeyCQYPDZMPYBTPQN-UHFFFAOYSA-N
XLogP2.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.16
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-phenylpropyl)oxane-4-carboxamide?
The IUPAC name of N-(3-phenylpropyl)oxane-4-carboxamide (CID 51354589) is N-(3-phenylpropyl)oxane-4-carboxamide.
What is the SMILES notation for N-(3-phenylpropyl)oxane-4-carboxamide?
The canonical SMILES for N-(3-phenylpropyl)oxane-4-carboxamide is O=C(NCCCc1ccccc1)C1CCOCC1.
What is the InChIKey of N-(3-phenylpropyl)oxane-4-carboxamide?
The InChIKey is CQYPDZMPYBTPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c17-15(14-8-11-18-12-9-14)16-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H,16,17).
What are the key properties of N-(3-phenylpropyl)oxane-4-carboxamide?
N-(3-phenylpropyl)oxane-4-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)oxane-4-carboxamide is sourced from PubChem (CID 51354589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).