N-[4-methoxy-3-[[(3S)-1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetamide

C23H21N3O4 — CID 2439910

IUPACN-[4-methoxy-3-[[(3S)-1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1N[C@H]1CC(=O)N(c2cccc3ccccc23)C1=O
InChIInChI=1S/C23H21N3O4/c1-14(27)24-16-10-11-21(30-2)18(12-16)25-19-13-22(28)26(23(19)29)20-9-5-7-15-6-3-4-8-17(15)20/h3-12,19,25H,13H2,1-2H3,(H,24,27)/t19-/m0/s1
InChIKeyYMFCJQZZMPECMY-IBGZPJMESA-N
MW403.44 g/mol
LogP3.55
Rot. Bonds5

About N-[4-methoxy-3-[[(3S)-1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetamide

N-[4-methoxy-3-[[(3S)-1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetamide (PubChem CID 2439910) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[4-methoxy-3-[[(3S)-1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methoxy-3-[[(3S)-1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetamide
PubChem CID2439910
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC NameN-[4-methoxy-3-[[(3S)-1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1N[C@H]1CC(=O)N(c2cccc3ccccc23)C1=O
InChIInChI=1S/C23H21N3O4/c1-14(27)24-16-10-11-21(30-2)18(12-16)25-19-13-22(28)26(23(19)29)20-9-5-7-15-6-3-4-8-17(15)20/h3-12,19,25H,13H2,1-2H3,(H,24,27)/t19-/m0/s1
InChIKeyYMFCJQZZMPECMY-IBGZPJMESA-N
XLogP3.55
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-methoxy-3-[[(3S)-1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetamide 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

N-[3-[[(3S)-1-(2,4-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide
CID 7928181
(3R)-3-anilino-1-naphthalen-1-ylpyrrolidine-2,5-dione
CID 98524929
N-[3-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxopyrrolidin-3-yl]amino]-4-methoxyphenyl]acetamide
CID 4855014
3-(methoxyamino)-1-naphthalen-1-ylpyrrolidine-2,5-dione
CID 139710361
3-[3-chloro-4-(4-chlorophenoxy)anilino]-1-naphthalen-1-ylpyrrolidine-2,5-dione
CID 509112
(3R)-1-naphthalen-1-yl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]pyrrolidine-2,5-dione
CID 98463384
(3R)-3-(2-methoxy-5-methylanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 2440458
(3R)-3-(3,4-dichloroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 93235214
(3R)-3-(2-methoxy-5-methylanilino)-1-phenylpyrrolidine-2,5-dione
CID 1225051
3-(2-fluoroanilino)-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 43844574
(3S)-1-(3-acetylphenyl)-3-(2-methoxy-5-nitroanilino)pyrrolidine-2,5-dione
CID 8891436
methyl 2-[(3R)-3-(4-methoxyanilino)-2,5-dioxopyrrolidin-1-yl]benzoate
CID 2230145

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-[[(3S)-1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-methoxy-3-[[(3S)-1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetamide (CID 2439910) is N-[4-methoxy-3-[[(3S)-1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-methoxy-3-[[(3S)-1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-methoxy-3-[[(3S)-1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetamide is COc1ccc(NC(C)=O)cc1N[C@H]1CC(=O)N(c2cccc3ccccc23)C1=O.
What is the InChIKey of N-[4-methoxy-3-[[(3S)-1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetamide?
The InChIKey is YMFCJQZZMPECMY-IBGZPJMESA-N. The full InChI is InChI=1S/C23H21N3O4/c1-14(27)24-16-10-11-21(30-2)18(12-16)25-19-13-22(28)26(23(19)29)20-9-5-7-15-6-3-4-8-17(15)20/h3-12,19,25H,13H2,1-2H3,(H,24,27)/t19-/m0/s1.
What are the key properties of N-[4-methoxy-3-[[(3S)-1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetamide?
N-[4-methoxy-3-[[(3S)-1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetamide has a molecular weight of 403.44 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-[[(3S)-1-naphthalen-1-yl-2,5-dioxopyrrolidin-3-yl]amino]phenyl]acetamide is sourced from PubChem (CID 2439910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).