N-cyclopropyl-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[(4-methoxyphenyl)methyl]acetamide

C25H27N3O4 — CID 55398366

IUPACN-cyclopropyl-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(C(=O)CN2C(=O)NC3(CCc4ccccc4C3)C2=O)C2CC2)cc1
InChIInChI=1S/C25H27N3O4/c1-32-21-10-6-17(7-11-21)15-27(20-8-9-20)22(29)16-28-23(30)25(26-24(28)31)13-12-18-4-2-3-5-19(18)14-25/h2-7,10-11,20H,8-9,12-16H2,1H3,(H,26,31)
InChIKeyPIJMTSXOVXXWPP-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.67
Rot. Bonds6

About N-cyclopropyl-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[(4-methoxyphenyl)methyl]acetamide

N-cyclopropyl-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 55398366) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-cyclopropyl-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID55398366
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC NameN-cyclopropyl-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(C(=O)CN2C(=O)NC3(CCc4ccccc4C3)C2=O)C2CC2)cc1
InChIInChI=1S/C25H27N3O4/c1-32-21-10-6-17(7-11-21)15-27(20-8-9-20)22(29)16-28-23(30)25(26-24(28)31)13-12-18-4-2-3-5-19(18)14-25/h2-7,10-11,20H,8-9,12-16H2,1H3,(H,26,31)
InChIKeyPIJMTSXOVXXWPP-UHFFFAOYSA-N
XLogP2.67
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 47094416
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 18201440
N-benzyl-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-cyclopropylacetamide
CID 34457472
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N,N-diethylacetamide
CID 5162697
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 55373897
N-cyclopropyl-2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 41197779
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 51206707
N-cyclopropyl-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 17430818
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18198390
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-phenyl-N-propan-2-ylacetamide
CID 84601405
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41312570
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 17426445

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of N-cyclopropyl-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[(4-methoxyphenyl)methyl]acetamide (CID 55398366) is N-cyclopropyl-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CN(C(=O)CN2C(=O)NC3(CCc4ccccc4C3)C2=O)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is PIJMTSXOVXXWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-32-21-10-6-17(7-11-21)15-27(20-8-9-20)22(29)16-28-23(30)25(26-24(28)31)13-12-18-4-2-3-5-19(18)14-25/h2-7,10-11,20H,8-9,12-16H2,1H3,(H,26,31).
What are the key properties of N-cyclopropyl-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
N-cyclopropyl-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 433.51 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 55398366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).