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

C25H29N3O4 — CID 3978767

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc2cc(C3(C)NC(=O)N(CC(=O)NCCC4=CCCCC4)C3=O)ccc2c1
InChIInChI=1S/C25H29N3O4/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/h6,8-11,14-15H,3-5,7,12-13,16H2,1-2H3,(H,26,29)(H,27,31)
InChIKeyCLYUTYMWLFSQEP-UHFFFAOYSA-N
MW435.52 g/mol
LogP3.62
Rot. Bonds7

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

N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 3978767) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID3978767
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc2cc(C3(C)NC(=O)N(CC(=O)NCCC4=CCCCC4)C3=O)ccc2c1
InChIInChI=1S/C25H29N3O4/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/h6,8-11,14-15H,3-5,7,12-13,16H2,1-2H3,(H,26,29)(H,27,31)
InChIKeyCLYUTYMWLFSQEP-UHFFFAOYSA-N
XLogP3.62
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 3978767) is N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is COc1ccc2cc(C3(C)NC(=O)N(CC(=O)NCCC4=CCCCC4)C3=O)ccc2c1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is CLYUTYMWLFSQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/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/h6,8-11,14-15H,3-5,7,12-13,16H2,1-2H3,(H,26,29)(H,27,31).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 435.52 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 3978767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).