N-[3-[[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide

C21H23N3O4 — CID 7928181

IUPACN-[3-[[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1N[C@H]1CC(=O)N(c2ccc(C)cc2C)C1=O
InChIInChI=1S/C21H23N3O4/c1-12-5-7-18(13(2)9-12)24-20(26)11-17(21(24)27)23-16-10-15(22-14(3)25)6-8-19(16)28-4/h5-10,17,23H,11H2,1-4H3,(H,22,25)/t17-/m0/s1
InChIKeyGVPYLQPHPQKTAA-KRWDZBQOSA-N
MW381.43 g/mol
LogP3.01
Rot. Bonds5

About N-[3-[[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide

N-[3-[[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide (PubChem CID 7928181) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[3-[[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide
PubChem CID7928181
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-[3-[[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1N[C@H]1CC(=O)N(c2ccc(C)cc2C)C1=O
InChIInChI=1S/C21H23N3O4/c1-12-5-7-18(13(2)9-12)24-20(26)11-17(21(24)27)23-16-10-15(22-14(3)25)6-8-19(16)28-4/h5-10,17,23H,11H2,1-4H3,(H,22,25)/t17-/m0/s1
InChIKeyGVPYLQPHPQKTAA-KRWDZBQOSA-N
XLogP3.01
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-methoxy-3-[[(3S)-1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetamide
CID 2439910
1-(2,4-dimethylphenyl)-3-[4-(2-methoxyanilino)anilino]pyrrolidine-2,5-dione
CID 5174295
4-[[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N-(4-methoxyphenyl)benzamide
CID 2427402
(3R)-3-(2-methoxy-5-methylanilino)-1-phenylpyrrolidine-2,5-dione
CID 1225051
(3R)-1-(2,4-dimethoxyphenyl)-3-(2,5-dimethylanilino)pyrrolidine-2,5-dione
CID 51860137
N'-[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]-3,4,5-trimethoxybenzohydrazide
CID 51579469
(3R)-3-(2-methoxy-5-methylanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 2440458
N-[3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxopyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide
CID 4855014
1-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 3401252
(3R)-1-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 2397103
(3R)-3-(5-chloro-2-methoxyanilino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 2085481
(3R)-3-(2-methoxyanilino)-1-(2,4,6-trimethylphenyl)pyrrolidine-2,5-dione
CID 98188035

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide?
The IUPAC name of N-[3-[[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide (CID 7928181) is N-[3-[[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[3-[[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[3-[[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide is COc1ccc(NC(C)=O)cc1N[C@H]1CC(=O)N(c2ccc(C)cc2C)C1=O.
What is the InChIKey of N-[3-[[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide?
The InChIKey is GVPYLQPHPQKTAA-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-12-5-7-18(13(2)9-12)24-20(26)11-17(21(24)27)23-16-10-15(22-14(3)25)6-8-19(16)28-4/h5-10,17,23H,11H2,1-4H3,(H,22,25)/t17-/m0/s1.
What are the key properties of N-[3-[[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide?
N-[3-[[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide has a molecular weight of 381.43 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide is sourced from PubChem (CID 7928181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).