N-[2-(3,5-dimethylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide

C15H22N2O3 — CID 119746756

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCc1cc(C)cc(OCCNC(=O)C2CC(O)CN2)c1
InChIInChI=1S/C15H22N2O3/c1-10-5-11(2)7-13(6-10)20-4-3-16-15(19)14-8-12(18)9-17-14/h5-7,12,14,17-18H,3-4,8-9H2,1-2H3,(H,16,19)
InChIKeyLWHPPKCXCJBOJE-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.52
Rot. Bonds5

About N-[2-(3,5-dimethylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide

N-[2-(3,5-dimethylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 119746756) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID119746756
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCc1cc(C)cc(OCCNC(=O)C2CC(O)CN2)c1
InChIInChI=1S/C15H22N2O3/c1-10-5-11(2)7-13(6-10)20-4-3-16-15(19)14-8-12(18)9-17-14/h5-7,12,14,17-18H,3-4,8-9H2,1-2H3,(H,16,19)
InChIKeyLWHPPKCXCJBOJE-UHFFFAOYSA-N
XLogP0.52
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.52
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

(2R,4S)-4-hydroxy-N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 125134711
4-hydroxy-N-[3-(4-methoxyphenoxy)propyl]pyrrolidine-2-carboxamide
CID 119747946
4-hydroxy-N-(3-phenoxypropyl)pyrrolidine-2-carboxamide
CID 62378948
N-[2-(3-tert-butylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119787068
N-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119746787
(2S,4S)-4-hydroxy-N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]pyrrolidine-2-carboxamide
CID 91237486
N-[2-(3,5-dimethylphenoxy)ethyl]cyclohexanecarboxamide
CID 2994102
N-[4-(3,5-dimethylphenoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119741335
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119900770
(2R,3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide
CID 120927464
cis-(1S,2R)-N-[3-[2-(3,5-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94620545
4-hydroxy-N-(2-phenylmethoxyethyl)pyrrolidine-2-carboxamide
CID 119770161

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide (CID 119746756) is N-[2-(3,5-dimethylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide is Cc1cc(C)cc(OCCNC(=O)C2CC(O)CN2)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is LWHPPKCXCJBOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-5-11(2)7-13(6-10)20-4-3-16-15(19)14-8-12(18)9-17-14/h5-7,12,14,17-18H,3-4,8-9H2,1-2H3,(H,16,19).
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide?
N-[2-(3,5-dimethylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenoxy)ethyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 119746756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).