N-[4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2-oxochromen-7-yl]acetamide

C23H21N3O5 — CID 3556926

IUPACN-[4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2-oxochromen-7-yl]acetamide
SMILESCC(=O)Nc1ccc2c(CN3C(=O)NC(C)(c4ccc(C)cc4)C3=O)cc(=O)oc2c1
InChIInChI=1S/C23H21N3O5/c1-13-4-6-16(7-5-13)23(3)21(29)26(22(30)25-23)12-15-10-20(28)31-19-11-17(24-14(2)27)8-9-18(15)19/h4-11H,12H2,1-3H3,(H,24,27)(H,25,30)
InChIKeyCZKVPCQWZXCTGM-UHFFFAOYSA-N
MW419.44 g/mol
LogP3.03
Rot. Bonds4

About N-[4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2-oxochromen-7-yl]acetamide

N-[4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2-oxochromen-7-yl]acetamide (PubChem CID 3556926) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is N-[4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2-oxochromen-7-yl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2-oxochromen-7-yl]acetamide
PubChem CID3556926
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC NameN-[4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2-oxochromen-7-yl]acetamide
SMILESCC(=O)Nc1ccc2c(CN3C(=O)NC(C)(c4ccc(C)cc4)C3=O)cc(=O)oc2c1
InChIInChI=1S/C23H21N3O5/c1-13-4-6-16(7-5-13)23(3)21(29)26(22(30)25-23)12-15-10-20(28)31-19-11-17(24-14(2)27)8-9-18(15)19/h4-11H,12H2,1-3H3,(H,24,27)(H,25,30)
InChIKeyCZKVPCQWZXCTGM-UHFFFAOYSA-N
XLogP3.03
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2-oxochromen-7-yl]acetamide?
The IUPAC name of N-[4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2-oxochromen-7-yl]acetamide (CID 3556926) is N-[4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2-oxochromen-7-yl]acetamide.
What is the SMILES notation for N-[4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2-oxochromen-7-yl]acetamide?
The canonical SMILES for N-[4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2-oxochromen-7-yl]acetamide is CC(=O)Nc1ccc2c(CN3C(=O)NC(C)(c4ccc(C)cc4)C3=O)cc(=O)oc2c1.
What is the InChIKey of N-[4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2-oxochromen-7-yl]acetamide?
The InChIKey is CZKVPCQWZXCTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5/c1-13-4-6-16(7-5-13)23(3)21(29)26(22(30)25-23)12-15-10-20(28)31-19-11-17(24-14(2)27)8-9-18(15)19/h4-11H,12H2,1-3H3,(H,24,27)(H,25,30).
What are the key properties of N-[4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2-oxochromen-7-yl]acetamide?
N-[4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2-oxochromen-7-yl]acetamide has a molecular weight of 419.44 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2-oxochromen-7-yl]acetamide is sourced from PubChem (CID 3556926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).