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

C14H19NO3 — CID 74588309

IUPACN-(3-phenoxypropyl)oxolane-2-carboxamide
SMILESO=C(NCCCOc1ccccc1)C1CCCO1
InChIInChI=1S/C14H19NO3/c16-14(13-8-4-10-18-13)15-9-5-11-17-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,15,16)
InChIKeyNTMOMOHIWQTWJR-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.75
Rot. Bonds6

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

N-(3-phenoxypropyl)oxolane-2-carboxamide (PubChem CID 74588309) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(3-phenoxypropyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(3-phenoxypropyl)oxolane-2-carboxamide
PubChem CID74588309
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-(3-phenoxypropyl)oxolane-2-carboxamide
SMILESO=C(NCCCOc1ccccc1)C1CCCO1
InChIInChI=1S/C14H19NO3/c16-14(13-8-4-10-18-13)15-9-5-11-17-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,15,16)
InChIKeyNTMOMOHIWQTWJR-UHFFFAOYSA-N
XLogP1.75
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]oxolane-2-carboxamide
CID 16994501
N-[2-(3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide
CID 47380053
(2S)-N-[3-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenoxy]propyl]oxolane-2-carboxamide
CID 26353443
N-[3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]oxolane-2-carboxamide
CID 45248375
N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974054
2-[4-[2-(oxolane-2-carbonylamino)ethyl]phenoxy]acetic acid
CID 119255885
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide
CID 113103038
N-(2-phenoxyethyl)cyclopentanecarboxamide
CID 30349598
N-[3-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981841
N-(2-phenoxyethyl)cyclohexanecarboxamide
CID 2298971
N-[2-(N-acetyl-4-phenoxyanilino)ethyl]oxolane-2-carboxamide
CID 113062539
N-[2-[(2-benzamidoacetyl)amino]ethyl]oxolane-2-carboxamide
CID 108539293

Frequently Asked Questions

What is the IUPAC name of N-(3-phenoxypropyl)oxolane-2-carboxamide?
The IUPAC name of N-(3-phenoxypropyl)oxolane-2-carboxamide (CID 74588309) is N-(3-phenoxypropyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(3-phenoxypropyl)oxolane-2-carboxamide?
The canonical SMILES for N-(3-phenoxypropyl)oxolane-2-carboxamide is O=C(NCCCOc1ccccc1)C1CCCO1.
What is the InChIKey of N-(3-phenoxypropyl)oxolane-2-carboxamide?
The InChIKey is NTMOMOHIWQTWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-14(13-8-4-10-18-13)15-9-5-11-17-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,15,16).
What are the key properties of N-(3-phenoxypropyl)oxolane-2-carboxamide?
N-(3-phenoxypropyl)oxolane-2-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenoxypropyl)oxolane-2-carboxamide is sourced from PubChem (CID 74588309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).