N-benzyl-N-(1-cyclopropylethyl)-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide

C28H29N3O3 — CID 55399926

IUPACN-benzyl-N-(1-cyclopropylethyl)-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCC(C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)NC(C)(c2cccc3ccccc23)C1=O
InChIInChI=1S/C28H29N3O3/c1-19(21-15-16-21)30(17-20-9-4-3-5-10-20)25(32)18-31-26(33)28(2,29-27(31)34)24-14-8-12-22-11-6-7-13-23(22)24/h3-14,19,21H,15-18H2,1-2H3,(H,29,34)
InChIKeyJUFRPIJNUHJLLH-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.43
Rot. Bonds7

About N-benzyl-N-(1-cyclopropylethyl)-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide

N-benzyl-N-(1-cyclopropylethyl)-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 55399926) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-benzyl-N-(1-cyclopropylethyl)-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-(1-cyclopropylethyl)-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID55399926
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC NameN-benzyl-N-(1-cyclopropylethyl)-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCC(C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)NC(C)(c2cccc3ccccc23)C1=O
InChIInChI=1S/C28H29N3O3/c1-19(21-15-16-21)30(17-20-9-4-3-5-10-20)25(32)18-31-26(33)28(2,29-27(31)34)24-14-8-12-22-11-6-7-13-23(22)24/h3-14,19,21H,15-18H2,1-2H3,(H,29,34)
InChIKeyJUFRPIJNUHJLLH-UHFFFAOYSA-N
XLogP4.43
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.43
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-benzyl-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
CID 2513176
N-benzyl-N-(1-cyclopropylethyl)-2-[4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 60620285
2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 2704464
N-benzyl-N-[(1R)-1-cyclopropylethyl]-2-[(4S)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51923998
1-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-2,5-dioxospiro[imidazolidine-4,1'-indene]-4'-carboxamide
CID 122459891
N-benzyl-N-(1-cyclopropylethyl)-2-[6-(hydroxymethyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 118957780
N-[(1S)-1-cyclopropylethyl]-2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 118957462
N-[(4-bromophenyl)methyl]-N-(1-cyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 118958027
N-benzyl-N-(1-cyclopropylethyl)-2-[4-(1H-indol-3-yl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 118972901
2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]-N-propylacetamide
CID 46606420
N-benzyl-2-[(3S)-6-[bis(methylsulfonyl)amino]-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(1-cyclopropylethyl)acetamide
CID 145048809
3-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 16610998

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1-cyclopropylethyl)-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-benzyl-N-(1-cyclopropylethyl)-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 55399926) is N-benzyl-N-(1-cyclopropylethyl)-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-benzyl-N-(1-cyclopropylethyl)-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-benzyl-N-(1-cyclopropylethyl)-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide is CC(C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)NC(C)(c2cccc3ccccc23)C1=O.
What is the InChIKey of N-benzyl-N-(1-cyclopropylethyl)-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is JUFRPIJNUHJLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-19(21-15-16-21)30(17-20-9-4-3-5-10-20)25(32)18-31-26(33)28(2,29-27(31)34)24-14-8-12-22-11-6-7-13-23(22)24/h3-14,19,21H,15-18H2,1-2H3,(H,29,34).
What are the key properties of N-benzyl-N-(1-cyclopropylethyl)-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-benzyl-N-(1-cyclopropylethyl)-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 455.56 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(1-cyclopropylethyl)-2-(4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 55399926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).