2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide

C25H25N3O4 — CID 2098354

IUPAC2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
SMILESCOc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)NCCc4ccccc4)C3=O)ccc2c1
InChIInChI=1S/C25H25N3O4/c1-25(20-10-8-19-15-21(32-2)11-9-18(19)14-20)23(30)28(24(31)27-25)16-22(29)26-13-12-17-6-4-3-5-7-17/h3-11,14-15H,12-13,16H2,1-2H3,(H,26,29)(H,27,31)/t25-/m0/s1
InChIKeyDZEOPVFFTGMQJH-VWLOTQADSA-N
MW431.49 g/mol
LogP2.97
Rot. Bonds7

About 2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide

2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide (PubChem CID 2098354) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
PubChem CID2098354
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
SMILESCOc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)NCCc4ccccc4)C3=O)ccc2c1
InChIInChI=1S/C25H25N3O4/c1-25(20-10-8-19-15-21(32-2)11-9-18(19)14-20)23(30)28(24(31)27-25)16-22(29)26-13-12-17-6-4-3-5-7-17/h3-11,14-15H,12-13,16H2,1-2H3,(H,26,29)(H,27,31)/t25-/m0/s1
InChIKeyDZEOPVFFTGMQJH-VWLOTQADSA-N
XLogP2.97
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide (CID 2098354) is 2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide is COc1ccc2cc([C@]3(C)NC(=O)N(CC(=O)NCCc4ccccc4)C3=O)ccc2c1.
What is the InChIKey of 2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is DZEOPVFFTGMQJH-VWLOTQADSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-25(20-10-8-19-15-21(32-2)11-9-18(19)14-20)23(30)28(24(31)27-25)16-22(29)26-13-12-17-6-4-3-5-7-17/h3-11,14-15H,12-13,16H2,1-2H3,(H,26,29)(H,27,31)/t25-/m0/s1.
What are the key properties of 2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide?
2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 431.49 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 2098354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).