2-[(3S)-1-cyclopropyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-(pyridin-4-ylmethyl)acetamide

C24H27N3O4 — CID 42438393

IUPAC2-[(3S)-1-cyclopropyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-(pyridin-4-ylmethyl)acetamide
SMILESCCN(Cc1ccncc1)C(=O)C[C@@]1(c2ccc(OC)cc2)CC(=O)N(C2CC2)C1=O
InChIInChI=1S/C24H27N3O4/c1-3-26(16-17-10-12-25-13-11-17)21(28)14-24(18-4-8-20(31-2)9-5-18)15-22(29)27(23(24)30)19-6-7-19/h4-5,8-13,19H,3,6-7,14-16H2,1-2H3/t24-/m0/s1
InChIKeyNXKHQUNDFANFKX-DEOSSOPVSA-N
MW421.50 g/mol
LogP2.69
Rot. Bonds8

About 2-[(3S)-1-cyclopropyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-(pyridin-4-ylmethyl)acetamide

2-[(3S)-1-cyclopropyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 42438393) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-[(3S)-1-cyclopropyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-1-cyclopropyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-(pyridin-4-ylmethyl)acetamide
PubChem CID42438393
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name2-[(3S)-1-cyclopropyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-(pyridin-4-ylmethyl)acetamide
SMILESCCN(Cc1ccncc1)C(=O)C[C@@]1(c2ccc(OC)cc2)CC(=O)N(C2CC2)C1=O
InChIInChI=1S/C24H27N3O4/c1-3-26(16-17-10-12-25-13-11-17)21(28)14-24(18-4-8-20(31-2)9-5-18)15-22(29)27(23(24)30)19-6-7-19/h4-5,8-13,19H,3,6-7,14-16H2,1-2H3/t24-/m0/s1
InChIKeyNXKHQUNDFANFKX-DEOSSOPVSA-N
XLogP2.69
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[1-cyclopropyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 45188217
2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N,N-diethylacetamide
CID 42346664
2-[1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid
CID 118759644
2-[(3R)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 42433957
N-benzyl-2-[(3S)-1-cyclopropyl-2,5-dioxo-3-(4-phenylphenyl)pyrrolidin-3-yl]-N-(2-hydroxyethyl)acetamide
CID 42367187
2-[(3S)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(2R)-2-hydroxy-2-phenylethyl]-N-methylacetamide
CID 26351202
3-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-oxoethyl]-1-cyclopropyl-3-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 126464410
(3S)-1-cyclopropyl-3-(4-methoxyphenyl)-3-[2-oxo-2-[(3R)-3-propanoylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 42455217
1-cyclopropyl-3-[2-[2-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 45188003
N-[2-(diethylamino)ethyl]-2-[2,5-dioxo-3-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-N-ethylacetamide
CID 45196252
2-[(3S)-1-cyclopentyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 42325094
1-[2-[(3R)-1-cyclopentyl-3-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetyl]-N,N-diethylpiperidine-4-carboxamide
CID 42383240

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-cyclopropyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-[(3S)-1-cyclopropyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-(pyridin-4-ylmethyl)acetamide (CID 42438393) is 2-[(3S)-1-cyclopropyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3S)-1-cyclopropyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[(3S)-1-cyclopropyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-(pyridin-4-ylmethyl)acetamide is CCN(Cc1ccncc1)C(=O)C[C@@]1(c2ccc(OC)cc2)CC(=O)N(C2CC2)C1=O.
What is the InChIKey of 2-[(3S)-1-cyclopropyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is NXKHQUNDFANFKX-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-3-26(16-17-10-12-25-13-11-17)21(28)14-24(18-4-8-20(31-2)9-5-18)15-22(29)27(23(24)30)19-6-7-19/h4-5,8-13,19H,3,6-7,14-16H2,1-2H3/t24-/m0/s1.
What are the key properties of 2-[(3S)-1-cyclopropyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-(pyridin-4-ylmethyl)acetamide?
2-[(3S)-1-cyclopropyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 421.50 g/mol, XLogP of 2.69, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-cyclopropyl-3-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 42438393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).