N-[4-amino-1,3-dioxo-2-(4-propan-2-ylphenyl)inden-2-yl]acetamide

C20H20N2O3 — CID 141356074

IUPACN-[4-amino-1,3-dioxo-2-(4-propan-2-ylphenyl)inden-2-yl]acetamide
SMILESCC(=O)NC1(c2ccc(C(C)C)cc2)C(=O)c2cccc(N)c2C1=O
InChIInChI=1S/C20H20N2O3/c1-11(2)13-7-9-14(10-8-13)20(22-12(3)23)18(24)15-5-4-6-16(21)17(15)19(20)25/h4-11H,21H2,1-3H3,(H,22,23)
InChIKeyYWKNXIYGKCPULL-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.80
Rot. Bonds3

About N-[4-amino-1,3-dioxo-2-(4-propan-2-ylphenyl)inden-2-yl]acetamide

N-[4-amino-1,3-dioxo-2-(4-propan-2-ylphenyl)inden-2-yl]acetamide (PubChem CID 141356074) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[4-amino-1,3-dioxo-2-(4-propan-2-ylphenyl)inden-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-amino-1,3-dioxo-2-(4-propan-2-ylphenyl)inden-2-yl]acetamide
PubChem CID141356074
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[4-amino-1,3-dioxo-2-(4-propan-2-ylphenyl)inden-2-yl]acetamide
SMILESCC(=O)NC1(c2ccc(C(C)C)cc2)C(=O)c2cccc(N)c2C1=O
InChIInChI=1S/C20H20N2O3/c1-11(2)13-7-9-14(10-8-13)20(22-12(3)23)18(24)15-5-4-6-16(21)17(15)19(20)25/h4-11H,21H2,1-3H3,(H,22,23)
InChIKeyYWKNXIYGKCPULL-UHFFFAOYSA-N
XLogP2.80
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-1,3-dioxo-2-(4-propan-2-ylphenyl)inden-2-yl]acetamide?
The IUPAC name of N-[4-amino-1,3-dioxo-2-(4-propan-2-ylphenyl)inden-2-yl]acetamide (CID 141356074) is N-[4-amino-1,3-dioxo-2-(4-propan-2-ylphenyl)inden-2-yl]acetamide.
What is the SMILES notation for N-[4-amino-1,3-dioxo-2-(4-propan-2-ylphenyl)inden-2-yl]acetamide?
The canonical SMILES for N-[4-amino-1,3-dioxo-2-(4-propan-2-ylphenyl)inden-2-yl]acetamide is CC(=O)NC1(c2ccc(C(C)C)cc2)C(=O)c2cccc(N)c2C1=O.
What is the InChIKey of N-[4-amino-1,3-dioxo-2-(4-propan-2-ylphenyl)inden-2-yl]acetamide?
The InChIKey is YWKNXIYGKCPULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-11(2)13-7-9-14(10-8-13)20(22-12(3)23)18(24)15-5-4-6-16(21)17(15)19(20)25/h4-11H,21H2,1-3H3,(H,22,23).
What are the key properties of N-[4-amino-1,3-dioxo-2-(4-propan-2-ylphenyl)inden-2-yl]acetamide?
N-[4-amino-1,3-dioxo-2-(4-propan-2-ylphenyl)inden-2-yl]acetamide has a molecular weight of 336.39 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-1,3-dioxo-2-(4-propan-2-ylphenyl)inden-2-yl]acetamide is sourced from PubChem (CID 141356074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).