3'-[[cyclopropyl-(4-methylcyclohexyl)amino]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione

C23H31N3O2 — CID 55860944

IUPAC3'-[[cyclopropyl-(4-methylcyclohexyl)amino]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
SMILESCC1CCC(N(CN2C(=O)NC3(CCc4ccccc4C3)C2=O)C2CC2)CC1
InChIInChI=1S/C23H31N3O2/c1-16-6-8-19(9-7-16)25(20-10-11-20)15-26-21(27)23(24-22(26)28)13-12-17-4-2-3-5-18(17)14-23/h2-5,16,19-20H,6-15H2,1H3,(H,24,28)
InChIKeyPBTNUPGXYHASPI-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.47
Rot. Bonds4

About 3'-[[cyclopropyl-(4-methylcyclohexyl)amino]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione

3'-[[cyclopropyl-(4-methylcyclohexyl)amino]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 55860944) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 3'-[[cyclopropyl-(4-methylcyclohexyl)amino]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-[[cyclopropyl-(4-methylcyclohexyl)amino]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
PubChem CID55860944
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name3'-[[cyclopropyl-(4-methylcyclohexyl)amino]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
SMILESCC1CCC(N(CN2C(=O)NC3(CCc4ccccc4C3)C2=O)C2CC2)CC1
InChIInChI=1S/C23H31N3O2/c1-16-6-8-19(9-7-16)25(20-10-11-20)15-26-21(27)23(24-22(26)28)13-12-17-4-2-3-5-18(17)14-23/h2-5,16,19-20H,6-15H2,1H3,(H,24,28)
InChIKeyPBTNUPGXYHASPI-UHFFFAOYSA-N
XLogP3.47
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3'-[[cyclopropyl-(4-methylcyclohexyl)amino]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3'-[[cyclopropyl-(4-methylcyclohexyl)amino]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-[[cyclopropyl-(4-methylcyclohexyl)amino]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione (CID 55860944) is 3'-[[cyclopropyl-(4-methylcyclohexyl)amino]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-[[cyclopropyl-(4-methylcyclohexyl)amino]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-[[cyclopropyl-(4-methylcyclohexyl)amino]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione is CC1CCC(N(CN2C(=O)NC3(CCc4ccccc4C3)C2=O)C2CC2)CC1.
What is the InChIKey of 3'-[[cyclopropyl-(4-methylcyclohexyl)amino]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is PBTNUPGXYHASPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-16-6-8-19(9-7-16)25(20-10-11-20)15-26-21(27)23(24-22(26)28)13-12-17-4-2-3-5-18(17)14-23/h2-5,16,19-20H,6-15H2,1H3,(H,24,28).
What are the key properties of 3'-[[cyclopropyl-(4-methylcyclohexyl)amino]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
3'-[[cyclopropyl-(4-methylcyclohexyl)amino]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 381.52 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[[cyclopropyl-(4-methylcyclohexyl)amino]methyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 55860944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).