5-oxo-N-[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methyl]-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C28H35N3O5 — CID 166185246

IUPAC5-oxo-N-[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methyl]-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1cccc(N2CC(C(=O)NCc3ccccc3OCC(=O)NCC3CCCO3)CC2=O)c1
InChIInChI=1S/C28H35N3O5/c1-19(2)20-8-5-9-23(13-20)31-17-22(14-27(31)33)28(34)30-15-21-7-3-4-11-25(21)36-18-26(32)29-16-24-10-6-12-35-24/h3-5,7-9,11,13,19,22,24H,6,10,12,14-18H2,1-2H3,(H,29,32)(H,30,34)
InChIKeyKUHFRJKSQNODLB-UHFFFAOYSA-N
MW493.60 g/mol
LogP3.15
Rot. Bonds10

About 5-oxo-N-[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methyl]-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide

5-oxo-N-[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methyl]-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 166185246) has the molecular formula C28H35N3O5 and a molecular weight of 493.60 g/mol. Its IUPAC name is 5-oxo-N-[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methyl]-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methyl]-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID166185246
Molecular FormulaC28H35N3O5
Molecular Weight493.60 g/mol
Exact Mass493.26
IUPAC Name5-oxo-N-[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methyl]-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCC(C)c1cccc(N2CC(C(=O)NCc3ccccc3OCC(=O)NCC3CCCO3)CC2=O)c1
InChIInChI=1S/C28H35N3O5/c1-19(2)20-8-5-9-23(13-20)31-17-22(14-27(31)33)28(34)30-15-21-7-3-4-11-25(21)36-18-26(32)29-16-24-10-6-12-35-24/h3-5,7-9,11,13,19,22,24H,6,10,12,14-18H2,1-2H3,(H,29,32)(H,30,34)
InChIKeyKUHFRJKSQNODLB-UHFFFAOYSA-N
XLogP3.15
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.60
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxyphenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 84995148
(3R)-1-(3-methylphenyl)-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 93017593
(3S)-1-(3-bromophenyl)-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 51935285
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 55556177
2-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]acetic acid
CID 80721764
(3S)-1-[4-[(2-chlorophenyl)methoxy]phenyl]-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 1273771
N-[(5-methylthiophen-2-yl)methyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 55749611
(3R)-1-(4-methylphenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 40502213
(3S)-1-(4-fluorophenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 7369086
N-[(2-methoxyphenyl)methyl]-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182657
1-(4-tert-butylphenyl)-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113187210
5-oxo-N-[2-oxo-2-(propylamino)ethyl]-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 43053458

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methyl]-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methyl]-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 166185246) is 5-oxo-N-[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methyl]-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methyl]-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methyl]-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide is CC(C)c1cccc(N2CC(C(=O)NCc3ccccc3OCC(=O)NCC3CCCO3)CC2=O)c1.
What is the InChIKey of 5-oxo-N-[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methyl]-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is KUHFRJKSQNODLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O5/c1-19(2)20-8-5-9-23(13-20)31-17-22(14-27(31)33)28(34)30-15-21-7-3-4-11-25(21)36-18-26(32)29-16-24-10-6-12-35-24/h3-5,7-9,11,13,19,22,24H,6,10,12,14-18H2,1-2H3,(H,29,32)(H,30,34).
What are the key properties of 5-oxo-N-[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methyl]-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
5-oxo-N-[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methyl]-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 493.60 g/mol, XLogP of 3.15, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]methyl]-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 166185246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).