5,5-diethyl-3-[2-[(3S)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]imidazolidine-2,4-dione

About 5,5-diethyl-3-[2-[(3S)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]imidazolidine-2,4-dione

5,5-diethyl-3-[2-[(3S)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 41101773) has the molecular formula C29H30N4O4 and a molecular weight of 498.58 g/mol. Its IUPAC name is 5,5-diethyl-3-[2-[(3S)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name	5,5-diethyl-3-[2-[(3S)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID	41101773
Molecular Formula	C29H30N4O4
Molecular Weight	498.58 g/mol
Exact Mass	498.23
IUPAC Name	5,5-diethyl-3-[2-[(3S)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILES	CCC1(CC)NC(=O)N(CC(=O)N2N=C(c3ccc4ccccc4c3)C[C@H]2c2ccc(OC)cc2)C1=O
InChI	InChI=1S/C29H30N4O4/c1-4-29(5-2)27(35)32(28(36)30-29)18-26(34)33-25(20-12-14-23(37-3)15-13-20)17-24(31-33)22-11-10-19-8-6-7-9-21(19)16-22/h6-16,25H,4-5,17-18H2,1-3H3,(H,30,36)/t25-/m0/s1
InChIKey	GPTXEIGFDBSGLO-VWLOTQADSA-N
XLogP	4.64
TPSA	91.31 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.58
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-3-[2-[(3S)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]imidazolidine-2,4-dione?

The IUPAC name of 5,5-diethyl-3-[2-[(3S)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 41101773) is 5,5-diethyl-3-[2-[(3S)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]imidazolidine-2,4-dione.

What is the SMILES notation for 5,5-diethyl-3-[2-[(3S)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]imidazolidine-2,4-dione?

The canonical SMILES for 5,5-diethyl-3-[2-[(3S)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]imidazolidine-2,4-dione is CCC1(CC)NC(=O)N(CC(=O)N2N=C(c3ccc4ccccc4c3)C[C@H]2c2ccc(OC)cc2)C1=O.

What is the InChIKey of 5,5-diethyl-3-[2-[(3S)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]imidazolidine-2,4-dione?

The InChIKey is GPTXEIGFDBSGLO-VWLOTQADSA-N. The full InChI is InChI=1S/C29H30N4O4/c1-4-29(5-2)27(35)32(28(36)30-29)18-26(34)33-25(20-12-14-23(37-3)15-13-20)17-24(31-33)22-11-10-19-8-6-7-9-21(19)16-22/h6-16,25H,4-5,17-18H2,1-3H3,(H,30,36)/t25-/m0/s1.

What are the key properties of 5,5-diethyl-3-[2-[(3S)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]imidazolidine-2,4-dione?

5,5-diethyl-3-[2-[(3S)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 498.58 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5-diethyl-3-[2-[(3S)-3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 41101773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).