N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride

C17H22ClN3O4 — CID 119783927

IUPACN-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCCCN1C(=O)c2ccccc2C1=O)C1CC(O)CN1
InChIInChI=1S/C17H21N3O4.ClH/c21-11-9-14(19-10-11)15(22)18-7-3-4-8-20-16(23)12-5-1-2-6-13(12)17(20)24;/h1-2,5-6,11,14,19,21H,3-4,7-10H2,(H,18,22);1H
InChIKeyYYODPRZRTSXSFS-UHFFFAOYSA-N
MW367.83 g/mol
LogP0.32
Rot. Bonds6

About N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride

N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119783927) has the molecular formula C17H22ClN3O4 and a molecular weight of 367.83 g/mol. Its IUPAC name is N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
PubChem CID119783927
Molecular FormulaC17H22ClN3O4
Molecular Weight367.83 g/mol
Exact Mass367.13
IUPAC NameN-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCCCN1C(=O)c2ccccc2C1=O)C1CC(O)CN1
InChIInChI=1S/C17H21N3O4.ClH/c21-11-9-14(19-10-11)15(22)18-7-3-4-8-20-16(23)12-5-1-2-6-13(12)17(20)24;/h1-2,5-6,11,14,19,21H,3-4,7-10H2,(H,18,22);1H
InChIKeyYYODPRZRTSXSFS-UHFFFAOYSA-N
XLogP0.32
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-(3-phenoxypropyl)pyrrolidine-2-carboxamide
CID 62378948
N-[4-(1,3-dioxoisoindol-2-yl)butyl]morpholine-2-carboxamide
CID 119783948
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119741106
(2R,4S)-4-hydroxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-2-carboxamide
CID 124697255
N-[[2-(4-chlorophenyl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119768236
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119674415
4-hydroxy-N-[4-(4-nitrophenyl)butyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119778305
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119890544
4-hydroxy-N-(2-phenylmethoxyethyl)pyrrolidine-2-carboxamide
CID 119770161
4-hydroxy-N-[4-(2-methylpiperidin-1-yl)butyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119852622
4-hydroxy-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 119868403
(2S,4R)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 125150269

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride (CID 119783927) is N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NCCCCN1C(=O)c2ccccc2C1=O)C1CC(O)CN1.
What is the InChIKey of N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is YYODPRZRTSXSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4.ClH/c21-11-9-14(19-10-11)15(22)18-7-3-4-8-20-16(23)12-5-1-2-6-13(12)17(20)24;/h1-2,5-6,11,14,19,21H,3-4,7-10H2,(H,18,22);1H.
What are the key properties of N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 367.83 g/mol, XLogP of 0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119783927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).