3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-(4-methoxyphenyl)propanamide

C18H21N3O4 — CID 46271642

IUPAC3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCNc2c(N3CCCC3)c(=O)c2=O)cc1
InChIInChI=1S/C18H21N3O4/c1-25-13-6-4-12(5-7-13)20-14(22)8-9-19-15-16(18(24)17(15)23)21-10-2-3-11-21/h4-7,19H,2-3,8-11H2,1H3,(H,20,22)
InChIKeyBVGDOTHYPANWCP-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.33
Rot. Bonds7

About 3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-(4-methoxyphenyl)propanamide

3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-(4-methoxyphenyl)propanamide (PubChem CID 46271642) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-(4-methoxyphenyl)propanamide
PubChem CID46271642
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCNc2c(N3CCCC3)c(=O)c2=O)cc1
InChIInChI=1S/C18H21N3O4/c1-25-13-6-4-12(5-7-13)20-14(22)8-9-19-15-16(18(24)17(15)23)21-10-2-3-11-21/h4-7,19H,2-3,8-11H2,1H3,(H,20,22)
InChIKeyBVGDOTHYPANWCP-UHFFFAOYSA-N
XLogP1.33
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-(3-methoxyphenyl)propanamide
CID 46271641
ethyl 4-[3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]propanoylamino]benzoate
CID 3245730
N-(4-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 109039631
3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-(2-fluorophenyl)propanamide
CID 46271658
3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041751
N-(4-acetamidophenyl)-3-(4-methoxyanilino)propanamide
CID 109039685
3-(4-piperidin-1-ylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109040218
3-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109039433
N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041781
methyl 4-[3-(4-pyrrolidin-1-ylanilino)propanoylamino]benzoate
CID 109041473
3-[2,6-di(propan-2-yl)anilino]-N-(4-methoxyphenyl)propanamide
CID 109039645
N-(4-chlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109038116

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-(4-methoxyphenyl)propanamide (CID 46271642) is 3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCNc2c(N3CCCC3)c(=O)c2=O)cc1.
What is the InChIKey of 3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-(4-methoxyphenyl)propanamide?
The InChIKey is BVGDOTHYPANWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-25-13-6-4-12(5-7-13)20-14(22)8-9-19-15-16(18(24)17(15)23)21-10-2-3-11-21/h4-7,19H,2-3,8-11H2,1H3,(H,20,22).
What are the key properties of 3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-(4-methoxyphenyl)propanamide?
3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-(4-methoxyphenyl)propanamide has a molecular weight of 343.38 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dioxo-2-pyrrolidin-1-ylcyclobuten-1-yl)amino]-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 46271642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).