4-hydroxy-N-(4-phenylmethoxybutyl)pyrrolidine-2-carboxamide;hydrochloride

C16H25ClN2O3 — CID 119763509

IUPAC4-hydroxy-N-(4-phenylmethoxybutyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCCCOCc1ccccc1)C1CC(O)CN1
InChIInChI=1S/C16H24N2O3.ClH/c19-14-10-15(18-11-14)16(20)17-8-4-5-9-21-12-13-6-2-1-3-7-13;/h1-3,6-7,14-15,18-19H,4-5,8-12H2,(H,17,20);1H
InChIKeyGFQQARYAGUWODQ-UHFFFAOYSA-N
MW328.84 g/mol
LogP1.24
Rot. Bonds8

About 4-hydroxy-N-(4-phenylmethoxybutyl)pyrrolidine-2-carboxamide;hydrochloride

4-hydroxy-N-(4-phenylmethoxybutyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119763509) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is 4-hydroxy-N-(4-phenylmethoxybutyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-hydroxy-N-(4-phenylmethoxybutyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119763509
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC Name4-hydroxy-N-(4-phenylmethoxybutyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCCCOCc1ccccc1)C1CC(O)CN1
InChIInChI=1S/C16H24N2O3.ClH/c19-14-10-15(18-11-14)16(20)17-8-4-5-9-21-12-13-6-2-1-3-7-13;/h1-3,6-7,14-15,18-19H,4-5,8-12H2,(H,17,20);1H
InChIKeyGFQQARYAGUWODQ-UHFFFAOYSA-N
XLogP1.24
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 51.24
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-(2-phenylmethoxyethyl)pyrrolidine-2-carboxamide
CID 119770161
4-hydroxy-N-(3-phenoxypropyl)pyrrolidine-2-carboxamide
CID 62378948
(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 15482052
4-hydroxy-N-(1-phenylmethoxypropan-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119804053
N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119783927
4-hydroxy-N-[3-(4-methoxyphenoxy)propyl]pyrrolidine-2-carboxamide
CID 119747946
methyl 4-(4-phenylmethoxybutyl)pyrrolidine-2-carboxylate
CID 142090727
4-hydroxy-N-octylpyrrolidine-2-carboxamide
CID 113337253
N-[3-(4-chlorophenyl)propyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119764695
4-fluoro-N-(3-phenylpropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 126622634
N-(2,3-diphenylpropyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119803955
4-hydroxy-N-[4-(4-nitrophenyl)butyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119778305

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(4-phenylmethoxybutyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 4-hydroxy-N-(4-phenylmethoxybutyl)pyrrolidine-2-carboxamide;hydrochloride (CID 119763509) is 4-hydroxy-N-(4-phenylmethoxybutyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-hydroxy-N-(4-phenylmethoxybutyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 4-hydroxy-N-(4-phenylmethoxybutyl)pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NCCCCOCc1ccccc1)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-(4-phenylmethoxybutyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is GFQQARYAGUWODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c19-14-10-15(18-11-14)16(20)17-8-4-5-9-21-12-13-6-2-1-3-7-13;/h1-3,6-7,14-15,18-19H,4-5,8-12H2,(H,17,20);1H.
What are the key properties of 4-hydroxy-N-(4-phenylmethoxybutyl)pyrrolidine-2-carboxamide;hydrochloride?
4-hydroxy-N-(4-phenylmethoxybutyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 1.24, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(4-phenylmethoxybutyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119763509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).