N-(5-tert-butyl-2-methoxyphenyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide

C27H29N3O4 — CID 16546410

IUPACN-(5-tert-butyl-2-methoxyphenyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)CN1C(=O)NC(C)(c2ccc3ccccc3c2)C1=O
InChIInChI=1S/C27H29N3O4/c1-26(2,3)19-12-13-22(34-5)21(15-19)28-23(31)16-30-24(32)27(4,29-25(30)33)20-11-10-17-8-6-7-9-18(17)14-20/h6-15H,16H2,1-5H3,(H,28,31)(H,29,33)
InChIKeySTNPGYHQOSQYDH-UHFFFAOYSA-N
MW459.55 g/mol
LogP4.55
Rot. Bonds5

About N-(5-tert-butyl-2-methoxyphenyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide

N-(5-tert-butyl-2-methoxyphenyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 16546410) has the molecular formula C27H29N3O4 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxyphenyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxyphenyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID16546410
Molecular FormulaC27H29N3O4
Molecular Weight459.55 g/mol
Exact Mass459.22
IUPAC NameN-(5-tert-butyl-2-methoxyphenyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)CN1C(=O)NC(C)(c2ccc3ccccc3c2)C1=O
InChIInChI=1S/C27H29N3O4/c1-26(2,3)19-12-13-22(34-5)21(15-19)28-23(31)16-30-24(32)27(4,29-25(30)33)20-11-10-17-8-6-7-9-18(17)14-20/h6-15H,16H2,1-5H3,(H,28,31)(H,29,33)
InChIKeySTNPGYHQOSQYDH-UHFFFAOYSA-N
XLogP4.55
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 41183201
methyl 2-methyl-2-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate
CID 55600305
2,2-dimethyl-N-[3-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]phenyl]propanamide
CID 24657513
N-(2,5-dimethoxyphenyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2581820
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 92509756
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 2577245
methyl 2-[[4-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoyl]amino]acetate
CID 55396903
N-(2-methoxyphenyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2582081
N-(5-fluoro-2-hydroxyphenyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 167779097
2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 25436664
2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2459874
N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 24592823

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 16546410) is N-(5-tert-butyl-2-methoxyphenyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(5-tert-butyl-2-methoxyphenyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(5-tert-butyl-2-methoxyphenyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide is COc1ccc(C(C)(C)C)cc1NC(=O)CN1C(=O)NC(C)(c2ccc3ccccc3c2)C1=O.
What is the InChIKey of N-(5-tert-butyl-2-methoxyphenyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is STNPGYHQOSQYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4/c1-26(2,3)19-12-13-22(34-5)21(15-19)28-23(31)16-30-24(32)27(4,29-25(30)33)20-11-10-17-8-6-7-9-18(17)14-20/h6-15H,16H2,1-5H3,(H,28,31)(H,29,33).
What are the key properties of N-(5-tert-butyl-2-methoxyphenyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-(5-tert-butyl-2-methoxyphenyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 459.55 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methoxyphenyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 16546410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).