(3R)-N-[2-(2-fluorophenoxy)ethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

C22H25FN2O6 — CID 51654904

IUPAC(3R)-N-[2-(2-fluorophenoxy)ethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cc(N2C[C@H](C(=O)NCCOc3ccccc3F)CC2=O)cc(OC)c1OC
InChIInChI=1S/C22H25FN2O6/c1-28-18-11-15(12-19(29-2)21(18)30-3)25-13-14(10-20(25)26)22(27)24-8-9-31-17-7-5-4-6-16(17)23/h4-7,11-12,14H,8-10,13H2,1-3H3,(H,24,27)/t14-/m1/s1
InChIKeySNINHNLHSBKLGR-CQSZACIVSA-N
MW432.45 g/mol
LogP2.40
Rot. Bonds9

About (3R)-N-[2-(2-fluorophenoxy)ethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

(3R)-N-[2-(2-fluorophenoxy)ethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 51654904) has the molecular formula C22H25FN2O6 and a molecular weight of 432.45 g/mol. Its IUPAC name is (3R)-N-[2-(2-fluorophenoxy)ethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(2-fluorophenoxy)ethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID51654904
Molecular FormulaC22H25FN2O6
Molecular Weight432.45 g/mol
Exact Mass432.17
IUPAC Name(3R)-N-[2-(2-fluorophenoxy)ethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cc(N2C[C@H](C(=O)NCCOc3ccccc3F)CC2=O)cc(OC)c1OC
InChIInChI=1S/C22H25FN2O6/c1-28-18-11-15(12-19(29-2)21(18)30-3)25-13-14(10-20(25)26)22(27)24-8-9-31-17-7-5-4-6-16(17)23/h4-7,11-12,14H,8-10,13H2,1-3H3,(H,24,27)/t14-/m1/s1
InChIKeySNINHNLHSBKLGR-CQSZACIVSA-N
XLogP2.40
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46587014
N-benzyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46585682
N-(3-methylbutyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55570729
N-ethyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 43057493
N-[(2-methylphenyl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 113190723
N-(2,5-difluorophenyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55576754
(3R)-N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 29128365
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55624339
5-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46578254
1-(2-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 47006883
(3S)-5-oxo-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 40634799
N-[2-(4-methoxyphenoxy)ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 24624710

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(2-fluorophenoxy)ethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(2-fluorophenoxy)ethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (CID 51654904) is (3R)-N-[2-(2-fluorophenoxy)ethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(2-fluorophenoxy)ethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(2-fluorophenoxy)ethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide is COc1cc(N2C[C@H](C(=O)NCCOc3ccccc3F)CC2=O)cc(OC)c1OC.
What is the InChIKey of (3R)-N-[2-(2-fluorophenoxy)ethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is SNINHNLHSBKLGR-CQSZACIVSA-N. The full InChI is InChI=1S/C22H25FN2O6/c1-28-18-11-15(12-19(29-2)21(18)30-3)25-13-14(10-20(25)26)22(27)24-8-9-31-17-7-5-4-6-16(17)23/h4-7,11-12,14H,8-10,13H2,1-3H3,(H,24,27)/t14-/m1/s1.
What are the key properties of (3R)-N-[2-(2-fluorophenoxy)ethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
(3R)-N-[2-(2-fluorophenoxy)ethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 432.45 g/mol, XLogP of 2.40, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(2-fluorophenoxy)ethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 51654904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).