(3S)-1-[2-(2-methoxyphenoxy)ethyl]-N-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide

C20H28N2O5 — CID 97496449

IUPAC(3S)-1-[2-(2-methoxyphenoxy)ethyl]-N-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1OCCN1C[C@@H](C(=O)NCC2CCOCC2)CC1=O
InChIInChI=1S/C20H28N2O5/c1-25-17-4-2-3-5-18(17)27-11-8-22-14-16(12-19(22)23)20(24)21-13-15-6-9-26-10-7-15/h2-5,15-16H,6-14H2,1H3,(H,21,24)/t16-/m0/s1
InChIKeyYWMLHGKHELNWRH-INIZCTEOSA-N
MW376.45 g/mol
LogP1.47
Rot. Bonds8

About (3S)-1-[2-(2-methoxyphenoxy)ethyl]-N-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide

(3S)-1-[2-(2-methoxyphenoxy)ethyl]-N-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 97496449) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is (3S)-1-[2-(2-methoxyphenoxy)ethyl]-N-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-(2-methoxyphenoxy)ethyl]-N-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID97496449
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Name(3S)-1-[2-(2-methoxyphenoxy)ethyl]-N-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1OCCN1C[C@@H](C(=O)NCC2CCOCC2)CC1=O
InChIInChI=1S/C20H28N2O5/c1-25-17-4-2-3-5-18(17)27-11-8-22-14-16(12-19(22)23)20(24)21-13-15-6-9-26-10-7-15/h2-5,15-16H,6-14H2,1H3,(H,21,24)/t16-/m0/s1
InChIKeyYWMLHGKHELNWRH-INIZCTEOSA-N
XLogP1.47
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-methoxyphenoxy)ethyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 75490757
(3S)-1-[2-(2-methoxyphenoxy)ethyl]-5-oxo-N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 97496755
4-amino-1-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-2-one
CID 168699576
N-(1,5-dimethylpyrazol-3-yl)-1-[2-(2-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 75488960
(3R)-1-(3-chloro-4-methoxyphenyl)-N-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 97137882
N-[2-(2-methoxyphenyl)ethyl]-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182521
1-butyl-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182002
N-cycloheptyl-1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184410
1-(furan-2-ylmethyl)-5-oxo-N-(oxolan-3-ylmethyl)pyrrolidine-3-carboxamide
CID 53497974
1-[2-(2-methoxyphenyl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 113184412
(3R)-N-(furan-2-ylmethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 94045963
N-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl]cyclopropanecarboxamide
CID 110420777

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(2-methoxyphenoxy)ethyl]-N-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-(2-methoxyphenoxy)ethyl]-N-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 97496449) is (3S)-1-[2-(2-methoxyphenoxy)ethyl]-N-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-(2-methoxyphenoxy)ethyl]-N-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-(2-methoxyphenoxy)ethyl]-N-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide is COc1ccccc1OCCN1C[C@@H](C(=O)NCC2CCOCC2)CC1=O.
What is the InChIKey of (3S)-1-[2-(2-methoxyphenoxy)ethyl]-N-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YWMLHGKHELNWRH-INIZCTEOSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-25-17-4-2-3-5-18(17)27-11-8-22-14-16(12-19(22)23)20(24)21-13-15-6-9-26-10-7-15/h2-5,15-16H,6-14H2,1H3,(H,21,24)/t16-/m0/s1.
What are the key properties of (3S)-1-[2-(2-methoxyphenoxy)ethyl]-N-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-[2-(2-methoxyphenoxy)ethyl]-N-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 376.45 g/mol, XLogP of 1.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(2-methoxyphenoxy)ethyl]-N-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97496449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).