1-(2-methoxyethyl)-3-(3-methoxyphenyl)-3-[2-[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

C28H36N2O5 — CID 45203930

IUPAC1-(2-methoxyethyl)-3-(3-methoxyphenyl)-3-[2-[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESC=CC[C@H]1CC(C)=C[C@H](CC=C)N1C(=O)CC1(c2cccc(OC)c2)CC(=O)N(CCOC)C1=O
InChIInChI=1S/C28H36N2O5/c1-6-9-22-15-20(3)16-23(10-7-2)30(22)26(32)19-28(21-11-8-12-24(17-21)35-5)18-25(31)29(27(28)33)13-14-34-4/h6-8,11-12,15,17,22-23H,1-2,9-10,13-14,16,18-19H2,3-5H3/t22-,23-,28?/m0/s1
InChIKeyVCTFQOYLNJFUJM-LHZJRAGZSA-N
MW480.61 g/mol
LogP3.80
Rot. Bonds11

About 1-(2-methoxyethyl)-3-(3-methoxyphenyl)-3-[2-[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

1-(2-methoxyethyl)-3-(3-methoxyphenyl)-3-[2-[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 45203930) has the molecular formula C28H36N2O5 and a molecular weight of 480.61 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(3-methoxyphenyl)-3-[2-[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(3-methoxyphenyl)-3-[2-[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
PubChem CID45203930
Molecular FormulaC28H36N2O5
Molecular Weight480.61 g/mol
Exact Mass480.26
IUPAC Name1-(2-methoxyethyl)-3-(3-methoxyphenyl)-3-[2-[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESC=CC[C@H]1CC(C)=C[C@H](CC=C)N1C(=O)CC1(c2cccc(OC)c2)CC(=O)N(CCOC)C1=O
InChIInChI=1S/C28H36N2O5/c1-6-9-22-15-20(3)16-23(10-7-2)30(22)26(32)19-28(21-11-8-12-24(17-21)35-5)18-25(31)29(27(28)33)13-14-34-4/h6-8,11-12,15,17,22-23H,1-2,9-10,13-14,16,18-19H2,3-5H3/t22-,23-,28?/m0/s1
InChIKeyVCTFQOYLNJFUJM-LHZJRAGZSA-N
XLogP3.80
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2-methoxyethyl)-3-(3-methoxyphenyl)-3-[2-[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1-(2-methoxyethyl)-3-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 45193467
(3R)-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)-3-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 42464097
(3S)-1-(2-methoxyethyl)-3-(3-methoxyphenyl)-3-[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 42441946
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(3S)-1-(2-methoxyethyl)-3-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
CID 26358738
2-[1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid
CID 118760256
(3S)-3-[2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 98585073
1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-3-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 118756752
(3R)-1-[2-(dimethylamino)ethyl]-3-[2-[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 42193124
2-[1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 126463475
(3S)-1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-3-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 125167940
ethyl 4-[2-[1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]acetyl]piperazine-1-carboxylate
CID 45230903
(3R)-1-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-3-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 29153220

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(3-methoxyphenyl)-3-[2-[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(2-methoxyethyl)-3-(3-methoxyphenyl)-3-[2-[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (CID 45203930) is 1-(2-methoxyethyl)-3-(3-methoxyphenyl)-3-[2-[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(3-methoxyphenyl)-3-[2-[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-methoxyethyl)-3-(3-methoxyphenyl)-3-[2-[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is C=CC[C@H]1CC(C)=C[C@H](CC=C)N1C(=O)CC1(c2cccc(OC)c2)CC(=O)N(CCOC)C1=O.
What is the InChIKey of 1-(2-methoxyethyl)-3-(3-methoxyphenyl)-3-[2-[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is VCTFQOYLNJFUJM-LHZJRAGZSA-N. The full InChI is InChI=1S/C28H36N2O5/c1-6-9-22-15-20(3)16-23(10-7-2)30(22)26(32)19-28(21-11-8-12-24(17-21)35-5)18-25(31)29(27(28)33)13-14-34-4/h6-8,11-12,15,17,22-23H,1-2,9-10,13-14,16,18-19H2,3-5H3/t22-,23-,28?/m0/s1.
What are the key properties of 1-(2-methoxyethyl)-3-(3-methoxyphenyl)-3-[2-[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
1-(2-methoxyethyl)-3-(3-methoxyphenyl)-3-[2-[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 480.61 g/mol, XLogP of 3.80, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(3-methoxyphenyl)-3-[2-[(2S,6S)-4-methyl-2,6-bis(prop-2-enyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 45203930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).