N-[2-(4-methoxyphenyl)-1,3-dioxoinden-2-yl]-N-phenylacetamide

C24H19NO4 — CID 2849350

IUPACN-[2-(4-methoxyphenyl)-1,3-dioxoinden-2-yl]-N-phenylacetamide
SMILESCOc1ccc(C2(N(C(C)=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H19NO4/c1-16(26)25(18-8-4-3-5-9-18)24(17-12-14-19(29-2)15-13-17)22(27)20-10-6-7-11-21(20)23(24)28/h3-15H,1-2H3
InChIKeyHBTGRKMEUCKRQY-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.02
Rot. Bonds4

About N-[2-(4-methoxyphenyl)-1,3-dioxoinden-2-yl]-N-phenylacetamide

N-[2-(4-methoxyphenyl)-1,3-dioxoinden-2-yl]-N-phenylacetamide (PubChem CID 2849350) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-1,3-dioxoinden-2-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-1,3-dioxoinden-2-yl]-N-phenylacetamide
PubChem CID2849350
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC NameN-[2-(4-methoxyphenyl)-1,3-dioxoinden-2-yl]-N-phenylacetamide
SMILESCOc1ccc(C2(N(C(C)=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C24H19NO4/c1-16(26)25(18-8-4-3-5-9-18)24(17-12-14-19(29-2)15-13-17)22(27)20-10-6-7-11-21(20)23(24)28/h3-15H,1-2H3
InChIKeyHBTGRKMEUCKRQY-UHFFFAOYSA-N
XLogP4.02
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-2-phenylindene-1,3-dione
CID 10664026
2-(4-methoxyphenyl)-2-(2-nitro-1-phenylethyl)indene-1,3-dione
CID 23931674
2-[(4-methoxyphenyl)methyl]-2-phenylindene-1,3-dione
CID 56689373
anisole;ethane;propan-2-one
CID 164986667
2-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylindene-1,3-dione
CID 640533
(1R,1aR,7aR)-1a-bromo-1-(4-methoxyphenyl)-1-phenyl-7aH-cyclopropa[b]naphthalene-2,7-dione
CID 10788893
2,2-bis(4-methoxyphenyl)-1H-indol-3-one
CID 138738671
1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926
2-(4-methoxyphenyl)-2-phenacyl-1H-indol-3-one
CID 154722470
1-(4-methoxyphenyl)-N,2-dimethyl-N-(2-phenylphenyl)cyclopropane-1-carboxamide
CID 67628200
[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] benzoate
CID 21349038
2-(4-fluoroanilino)-2-(4-methoxyphenyl)indene-1,3-dione
CID 22432792

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-1,3-dioxoinden-2-yl]-N-phenylacetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-1,3-dioxoinden-2-yl]-N-phenylacetamide (CID 2849350) is N-[2-(4-methoxyphenyl)-1,3-dioxoinden-2-yl]-N-phenylacetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-1,3-dioxoinden-2-yl]-N-phenylacetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-1,3-dioxoinden-2-yl]-N-phenylacetamide is COc1ccc(C2(N(C(C)=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-1,3-dioxoinden-2-yl]-N-phenylacetamide?
The InChIKey is HBTGRKMEUCKRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4/c1-16(26)25(18-8-4-3-5-9-18)24(17-12-14-19(29-2)15-13-17)22(27)20-10-6-7-11-21(20)23(24)28/h3-15H,1-2H3.
What are the key properties of N-[2-(4-methoxyphenyl)-1,3-dioxoinden-2-yl]-N-phenylacetamide?
N-[2-(4-methoxyphenyl)-1,3-dioxoinden-2-yl]-N-phenylacetamide has a molecular weight of 385.42 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-1,3-dioxoinden-2-yl]-N-phenylacetamide is sourced from PubChem (CID 2849350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).