4-hydroxy-N-[3-(4-methoxyphenoxy)propyl]pyrrolidine-2-carboxamide

C15H22N2O4 — CID 119747946

IUPAC4-hydroxy-N-[3-(4-methoxyphenoxy)propyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(OCCCNC(=O)C2CC(O)CN2)cc1
InChIInChI=1S/C15H22N2O4/c1-20-12-3-5-13(6-4-12)21-8-2-7-16-15(19)14-9-11(18)10-17-14/h3-6,11,14,17-18H,2,7-10H2,1H3,(H,16,19)
InChIKeyVMQLNSVHZIRVFU-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.30
Rot. Bonds7

About 4-hydroxy-N-[3-(4-methoxyphenoxy)propyl]pyrrolidine-2-carboxamide

4-hydroxy-N-[3-(4-methoxyphenoxy)propyl]pyrrolidine-2-carboxamide (PubChem CID 119747946) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-hydroxy-N-[3-(4-methoxyphenoxy)propyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[3-(4-methoxyphenoxy)propyl]pyrrolidine-2-carboxamide
PubChem CID119747946
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name4-hydroxy-N-[3-(4-methoxyphenoxy)propyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(OCCCNC(=O)C2CC(O)CN2)cc1
InChIInChI=1S/C15H22N2O4/c1-20-12-3-5-13(6-4-12)21-8-2-7-16-15(19)14-9-11(18)10-17-14/h3-6,11,14,17-18H,2,7-10H2,1H3,(H,16,19)
InChIKeyVMQLNSVHZIRVFU-UHFFFAOYSA-N
XLogP0.30
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-(3-phenoxypropyl)pyrrolidine-2-carboxamide
CID 62378948
(2R,4S)-4-hydroxy-N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 125134711
N-[2-(3,5-dimethylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119746756
4-hydroxy-N-[2-[4-(2-methylpropoxy)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 119778712
N-[2-(3-tert-butylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119787068
(2R,4R)-4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide
CID 74230276
(2R,4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 28943713
4-hydroxy-N-octylpyrrolidine-2-carboxamide
CID 113337253
N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide
CID 8935452
N-[2-(4-methoxyphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119694151
(2R,4R)-4-hydroxy-N-[[4-(2-methoxyphenoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 124685831
N-[3-(4-methoxyphenoxy)propyl]acetamide
CID 60578635

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[3-(4-methoxyphenoxy)propyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-[3-(4-methoxyphenoxy)propyl]pyrrolidine-2-carboxamide (CID 119747946) is 4-hydroxy-N-[3-(4-methoxyphenoxy)propyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[3-(4-methoxyphenoxy)propyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-[3-(4-methoxyphenoxy)propyl]pyrrolidine-2-carboxamide is COc1ccc(OCCCNC(=O)C2CC(O)CN2)cc1.
What is the InChIKey of 4-hydroxy-N-[3-(4-methoxyphenoxy)propyl]pyrrolidine-2-carboxamide?
The InChIKey is VMQLNSVHZIRVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-20-12-3-5-13(6-4-12)21-8-2-7-16-15(19)14-9-11(18)10-17-14/h3-6,11,14,17-18H,2,7-10H2,1H3,(H,16,19).
What are the key properties of 4-hydroxy-N-[3-(4-methoxyphenoxy)propyl]pyrrolidine-2-carboxamide?
4-hydroxy-N-[3-(4-methoxyphenoxy)propyl]pyrrolidine-2-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 0.30, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[3-(4-methoxyphenoxy)propyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119747946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).