N-[2-(3-tert-butylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride

C17H27ClN2O3 — CID 119787068

IUPACN-[2-(3-tert-butylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
SMILESCC(C)(C)c1cccc(OCCNC(=O)C2CC(O)CN2)c1.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-17(2,3)12-5-4-6-14(9-12)22-8-7-18-16(21)15-10-13(20)11-19-15;/h4-6,9,13,15,19-20H,7-8,10-11H2,1-3H3,(H,18,21);1H
InChIKeyQOOLQFHNYCGRID-UHFFFAOYSA-N
MW342.87 g/mol
LogP1.62
Rot. Bonds5

About N-[2-(3-tert-butylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride

N-[2-(3-tert-butylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119787068) has the molecular formula C17H27ClN2O3 and a molecular weight of 342.87 g/mol. Its IUPAC name is N-[2-(3-tert-butylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-tert-butylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
PubChem CID119787068
Molecular FormulaC17H27ClN2O3
Molecular Weight342.87 g/mol
Exact Mass342.17
IUPAC NameN-[2-(3-tert-butylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
SMILESCC(C)(C)c1cccc(OCCNC(=O)C2CC(O)CN2)c1.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-17(2,3)12-5-4-6-14(9-12)22-8-7-18-16(21)15-10-13(20)11-19-15;/h4-6,9,13,15,19-20H,7-8,10-11H2,1-3H3,(H,18,21);1H
InChIKeyQOOLQFHNYCGRID-UHFFFAOYSA-N
XLogP1.62
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 51.62
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-phenoxypropyl)pyrrolidine-2-carboxamide
CID 62378948
N-[2-(3,5-dimethylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119746756
(2R,4S)-4-hydroxy-N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 125134711
(2S,4S)-4-hydroxy-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]pyrrolidine-2-carboxamide
CID 91237486
2-[2-(3-tert-butylphenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976904
N-[2-(3-tert-butylphenoxy)ethyl]cyclohexanecarboxamide
CID 113100423
4-hydroxy-N-[3-(4-methoxyphenoxy)propyl]pyrrolidine-2-carboxamide
CID 119747946
N-[2-(3-tert-butylphenoxy)ethyl]oxane-4-carboxamide
CID 113100479
4-hydroxy-N-[2-methyl-2-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119756992
N-[3-(2-fluoroethoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119808988
tert-butyl N-[2-(3-tert-butylphenoxy)ethyl]carbamate
CID 113100474
methyl 2-[3-[[(4-hydroxypyrrolidine-2-carbonyl)amino]methyl]phenoxy]acetate
CID 119787113

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-tert-butylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(3-tert-butylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride (CID 119787068) is N-[2-(3-tert-butylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(3-tert-butylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(3-tert-butylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride is CC(C)(C)c1cccc(OCCNC(=O)C2CC(O)CN2)c1.Cl.
What is the InChIKey of N-[2-(3-tert-butylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is QOOLQFHNYCGRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3.ClH/c1-17(2,3)12-5-4-6-14(9-12)22-8-7-18-16(21)15-10-13(20)11-19-15;/h4-6,9,13,15,19-20H,7-8,10-11H2,1-3H3,(H,18,21);1H.
What are the key properties of N-[2-(3-tert-butylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
N-[2-(3-tert-butylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-tert-butylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119787068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).