N-benzyl-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-pentan-3-ylacetamide

C25H29N3O3 — CID 118958105

IUPACN-benzyl-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-pentan-3-ylacetamide
SMILESCCC(CC)N(Cc1ccccc1)C(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O
InChIInChI=1S/C25H29N3O3/c1-3-20(4-2)27(16-18-10-6-5-7-11-18)22(29)17-28-23(30)25(26-24(28)31)15-14-19-12-8-9-13-21(19)25/h5-13,20H,3-4,14-17H2,1-2H3,(H,26,31)
InChIKeyNQKTXWMYCYDDNB-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.60
Rot. Bonds7

About N-benzyl-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-pentan-3-ylacetamide

N-benzyl-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-pentan-3-ylacetamide (PubChem CID 118958105) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-benzyl-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-pentan-3-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-pentan-3-ylacetamide
PubChem CID118958105
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC NameN-benzyl-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-pentan-3-ylacetamide
SMILESCCC(CC)N(Cc1ccccc1)C(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O
InChIInChI=1S/C25H29N3O3/c1-3-20(4-2)27(16-18-10-6-5-7-11-18)22(29)17-28-23(30)25(26-24(28)31)15-14-19-12-8-9-13-21(19)25/h5-13,20H,3-4,14-17H2,1-2H3,(H,26,31)
InChIKeyNQKTXWMYCYDDNB-UHFFFAOYSA-N
XLogP3.60
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.60
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-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-methylacetamide
CID 2705995
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[(4-fluorophenyl)methyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
CID 118956996
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-(2,2-dicyclopropylethyl)-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetamide
CID 122459941
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N,N-dipropylacetamide
CID 51162050
N-benzyl-N-(1-cyclopropylethyl)-2-[6-(hydroxymethyl)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]acetamide
CID 118957780
ethyl 2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)acetate
CID 4679778
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 18201411
N-benzyl-2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-propan-2-ylacetamide
CID 7771752
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
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-propylacetamide
CID 5182693

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-pentan-3-ylacetamide?
The IUPAC name of N-benzyl-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-pentan-3-ylacetamide (CID 118958105) is N-benzyl-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-pentan-3-ylacetamide.
What is the SMILES notation for N-benzyl-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-pentan-3-ylacetamide?
The canonical SMILES for N-benzyl-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-pentan-3-ylacetamide is CCC(CC)N(Cc1ccccc1)C(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O.
What is the InChIKey of N-benzyl-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-pentan-3-ylacetamide?
The InChIKey is NQKTXWMYCYDDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-3-20(4-2)27(16-18-10-6-5-7-11-18)22(29)17-28-23(30)25(26-24(28)31)15-14-19-12-8-9-13-21(19)25/h5-13,20H,3-4,14-17H2,1-2H3,(H,26,31).
What are the key properties of N-benzyl-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-pentan-3-ylacetamide?
N-benzyl-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-pentan-3-ylacetamide has a molecular weight of 419.53 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-pentan-3-ylacetamide is sourced from PubChem (CID 118958105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).