4-hydroxy-N-(3-phenoxypropyl)pyrrolidine-2-carboxamide

C14H20N2O3 — CID 62378948

IUPAC4-hydroxy-N-(3-phenoxypropyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCCOc1ccccc1)C1CC(O)CN1
InChIInChI=1S/C14H20N2O3/c17-11-9-13(16-10-11)14(18)15-7-4-8-19-12-5-2-1-3-6-12/h1-3,5-6,11,13,16-17H,4,7-10H2,(H,15,18)
InChIKeyJVSKIGNNQQYLEF-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.29
Rot. Bonds6

About 4-hydroxy-N-(3-phenoxypropyl)pyrrolidine-2-carboxamide

4-hydroxy-N-(3-phenoxypropyl)pyrrolidine-2-carboxamide (PubChem CID 62378948) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-hydroxy-N-(3-phenoxypropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(3-phenoxypropyl)pyrrolidine-2-carboxamide
PubChem CID62378948
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-hydroxy-N-(3-phenoxypropyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCCOc1ccccc1)C1CC(O)CN1
InChIInChI=1S/C14H20N2O3/c17-11-9-13(16-10-11)14(18)15-7-4-8-19-12-5-2-1-3-6-12/h1-3,5-6,11,13,16-17H,4,7-10H2,(H,15,18)
InChIKeyJVSKIGNNQQYLEF-UHFFFAOYSA-N
XLogP0.29
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-[3-(4-methoxyphenoxy)propyl]pyrrolidine-2-carboxamide
CID 119747946
(2R,4S)-4-hydroxy-N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 125134711
4-hydroxy-N-(4-phenylmethoxybutyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119763509
N-[2-(3-tert-butylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119787068
N-[2-(3,5-dimethylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119746756
4-hydroxy-N-(2-phenylmethoxyethyl)pyrrolidine-2-carboxamide
CID 119770161
N-(3-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119274134
(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 15482052
(2S,4S)-4-hydroxy-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]pyrrolidine-2-carboxamide
CID 91237486
N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119783927
(2R,4S)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 125138942
(2S,4R)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 125150269

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(3-phenoxypropyl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-(3-phenoxypropyl)pyrrolidine-2-carboxamide (CID 62378948) is 4-hydroxy-N-(3-phenoxypropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(3-phenoxypropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-(3-phenoxypropyl)pyrrolidine-2-carboxamide is O=C(NCCCOc1ccccc1)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-(3-phenoxypropyl)pyrrolidine-2-carboxamide?
The InChIKey is JVSKIGNNQQYLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-11-9-13(16-10-11)14(18)15-7-4-8-19-12-5-2-1-3-6-12/h1-3,5-6,11,13,16-17H,4,7-10H2,(H,15,18).
What are the key properties of 4-hydroxy-N-(3-phenoxypropyl)pyrrolidine-2-carboxamide?
4-hydroxy-N-(3-phenoxypropyl)pyrrolidine-2-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(3-phenoxypropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 62378948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).