N-ethyl-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-naphthalen-1-ylacetamide

C27H29N3O3 — CID 46816705

IUPACN-ethyl-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-naphthalen-1-ylacetamide
SMILESCCN(C(=O)CN1C(=O)NC(C)(c2ccc(C(C)C)cc2)C1=O)c1cccc2ccccc12
InChIInChI=1S/C27H29N3O3/c1-5-29(23-12-8-10-20-9-6-7-11-22(20)23)24(31)17-30-25(32)27(4,28-26(30)33)21-15-13-19(14-16-21)18(2)3/h6-16,18H,5,17H2,1-4H3,(H,28,33)
InChIKeyQSFBBXIHGKZGIY-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.78
Rot. Bonds6

About N-ethyl-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-naphthalen-1-ylacetamide

N-ethyl-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-naphthalen-1-ylacetamide (PubChem CID 46816705) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-ethyl-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-naphthalen-1-ylacetamide
PubChem CID46816705
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC NameN-ethyl-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-naphthalen-1-ylacetamide
SMILESCCN(C(=O)CN1C(=O)NC(C)(c2ccc(C(C)C)cc2)C1=O)c1cccc2ccccc12
InChIInChI=1S/C27H29N3O3/c1-5-29(23-12-8-10-20-9-6-7-11-22(20)23)24(31)17-30-25(32)27(4,28-26(30)33)21-15-13-19(14-16-21)18(2)3/h6-16,18H,5,17H2,1-4H3,(H,28,33)
InChIKeyQSFBBXIHGKZGIY-UHFFFAOYSA-N
XLogP4.78
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7595916
N-ethyl-2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 8024368
N-ethyl-2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 8024367
2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-phenyl-N-prop-2-enylacetamide
CID 8625100
2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetic acid
CID 30054775
2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-(1-naphthalen-2-ylethyl)acetamide
CID 55327757
N-butyl-N-methyl-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 8625129
2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 7595825
N-methyl-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 7596071
N-(2,6-dimethylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7595756
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 46608368
N-(2,6-diethylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7595813

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-naphthalen-1-ylacetamide?
The IUPAC name of N-ethyl-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-naphthalen-1-ylacetamide (CID 46816705) is N-ethyl-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for N-ethyl-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for N-ethyl-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-naphthalen-1-ylacetamide is CCN(C(=O)CN1C(=O)NC(C)(c2ccc(C(C)C)cc2)C1=O)c1cccc2ccccc12.
What is the InChIKey of N-ethyl-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-naphthalen-1-ylacetamide?
The InChIKey is QSFBBXIHGKZGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-5-29(23-12-8-10-20-9-6-7-11-22(20)23)24(31)17-30-25(32)27(4,28-26(30)33)21-15-13-19(14-16-21)18(2)3/h6-16,18H,5,17H2,1-4H3,(H,28,33).
What are the key properties of N-ethyl-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-naphthalen-1-ylacetamide?
N-ethyl-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-naphthalen-1-ylacetamide has a molecular weight of 443.55 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 46816705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).