N-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)-N-(3-methoxyphenyl)acetamide

C23H22N2O4 — CID 2903159

IUPACN-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(N(C(C)=O)C2=C(N3CCCC3)C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C23H22N2O4/c1-15(26)25(16-8-7-9-17(14-16)29-2)21-20(24-12-5-6-13-24)22(27)18-10-3-4-11-19(18)23(21)28/h3-4,7-11,14H,5-6,12-13H2,1-2H3
InChIKeyQFZUDYQQHNIWOZ-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.43
Rot. Bonds4

About N-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)-N-(3-methoxyphenyl)acetamide

N-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)-N-(3-methoxyphenyl)acetamide (PubChem CID 2903159) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)-N-(3-methoxyphenyl)acetamide
PubChem CID2903159
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC NameN-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(N(C(C)=O)C2=C(N3CCCC3)C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C23H22N2O4/c1-15(26)25(16-8-7-9-17(14-16)29-2)21-20(24-12-5-6-13-24)22(27)18-10-3-4-11-19(18)23(21)28/h3-4,7-11,14H,5-6,12-13H2,1-2H3
InChIKeyQFZUDYQQHNIWOZ-UHFFFAOYSA-N
XLogP3.43
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)-N-(3-methoxyphenyl)acetamide
CID 2903286
N-(3,5-dimethylphenyl)-N-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)acetamide
CID 46500539
2-(N-methylanilino)-3-pyrrolidin-1-ylnaphthalene-1,4-dione
CID 630410
N-[3-(azepan-1-yl)-1,4-dioxonaphthalen-2-yl]-N-cyclohexylacetamide
CID 3456979
2-(N-ethylanilino)-3-pyrrolidin-1-ylnaphthalene-1,4-dione
CID 2847034
N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]-N-(3-methoxyphenyl)methanesulfonamide
CID 95118493
2-(N-acetyl-3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113173445
N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-(3-methoxyphenyl)acetamide
CID 113173316
1-(3-methoxyphenyl)azepane
CID 57276431
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide
CID 43892446
1-(3-methoxyphenyl)-1-propan-2-ylurea
CID 3032131
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 8592399

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)-N-(3-methoxyphenyl)acetamide?
The IUPAC name of N-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)-N-(3-methoxyphenyl)acetamide (CID 2903159) is N-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)-N-(3-methoxyphenyl)acetamide is COc1cccc(N(C(C)=O)C2=C(N3CCCC3)C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of N-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)-N-(3-methoxyphenyl)acetamide?
The InChIKey is QFZUDYQQHNIWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-15(26)25(16-8-7-9-17(14-16)29-2)21-20(24-12-5-6-13-24)22(27)18-10-3-4-11-19(18)23(21)28/h3-4,7-11,14H,5-6,12-13H2,1-2H3.
What are the key properties of N-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)-N-(3-methoxyphenyl)acetamide?
N-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)-N-(3-methoxyphenyl)acetamide has a molecular weight of 390.44 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 2903159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).