N-(3-phenylpropyl)oxolane-2-carboxamide

C14H19NO2 — CID 4108536

IUPACN-(3-phenylpropyl)oxolane-2-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCCO1
InChIInChI=1S/C14H19NO2/c16-14(13-9-5-11-17-13)15-10-4-8-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,15,16)
InChIKeyKPOCQPICOFBTSZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.91
Rot. Bonds5

About N-(3-phenylpropyl)oxolane-2-carboxamide

N-(3-phenylpropyl)oxolane-2-carboxamide (PubChem CID 4108536) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(3-phenylpropyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)oxolane-2-carboxamide
PubChem CID4108536
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-(3-phenylpropyl)oxolane-2-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCCO1
InChIInChI=1S/C14H19NO2/c16-14(13-9-5-11-17-13)15-10-4-8-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,15,16)
InChIKeyKPOCQPICOFBTSZ-UHFFFAOYSA-N
XLogP1.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.91
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

N-[2-(4-chlorophenyl)ethyl]tetrahydrofuran-2-carboxamide
CID 2970803
Acetamide, N-tetrahydrofurfuryl-2-phenyl-
CID 531986
N-(1-phenylpropyl)tetrahydro-2-furancarboxamide
CID 6467126
2-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 3148058
3-phenyl-N-(tetrahydro-2-furanylmethyl)butanamide
CID 2914304
N-[1-(3,4-dimethylphenyl)ethyl]tetrahydrofuran-2-carboxamide
CID 2970814
3,3-diphenyl-N-(tetrahydrofuran-2-ylmethyl)propanamide
CID 4385965
[2-Oxo-2-(2-phenylethylamino)ethyl] cyclopropanecarboxylate
CID 2363855
N-[2-(4-fluorophenyl)ethyl]oxolane-2-carboxamide
CID 2947967
N-[2-(4-sulfamoylphenyl)ethyl]oxolane-2-carboxamide
CID 3155150
N-[1-(4-ethylphenyl)ethyl]tetrahydro-2-furancarboxamide
CID 6464227
N-{1-[4-(butan-2-yl)phenyl]propyl}tetrahydrofuran-2-carboxamide
CID 6464301

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)oxolane-2-carboxamide?
The IUPAC name of N-(3-phenylpropyl)oxolane-2-carboxamide (CID 4108536) is N-(3-phenylpropyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(3-phenylpropyl)oxolane-2-carboxamide?
The canonical SMILES for N-(3-phenylpropyl)oxolane-2-carboxamide is O=C(NCCCc1ccccc1)C1CCCO1.
What is the InChIKey of N-(3-phenylpropyl)oxolane-2-carboxamide?
The InChIKey is KPOCQPICOFBTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c16-14(13-9-5-11-17-13)15-10-4-8-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,15,16).
What are the key properties of N-(3-phenylpropyl)oxolane-2-carboxamide?
N-(3-phenylpropyl)oxolane-2-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)oxolane-2-carboxamide is sourced from PubChem (CID 4108536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).