3-[(4-methylcyclohexyl)amino]-1-[4-[3-[(4-methylcyclohexyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione

C28H38N4O4 — CID 3135056

IUPAC3-[(4-methylcyclohexyl)amino]-1-[4-[3-[(4-methylcyclohexyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione
SMILESCC1CCC(NC2CC(=O)N(c3ccc(N4C(=O)CC(NC5CCC(C)CC5)C4=O)cc3)C2=O)CC1
InChIInChI=1S/C28H38N4O4/c1-17-3-7-19(8-4-17)29-23-15-25(33)31(27(23)35)21-11-13-22(14-12-21)32-26(34)16-24(28(32)36)30-20-9-5-18(2)6-10-20/h11-14,17-20,23-24,29-30H,3-10,15-16H2,1-2H3
InChIKeyPBXWJRODZFTYGF-UHFFFAOYSA-N
MW494.64 g/mol
LogP3.29
Rot. Bonds6

About 3-[(4-methylcyclohexyl)amino]-1-[4-[3-[(4-methylcyclohexyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione

3-[(4-methylcyclohexyl)amino]-1-[4-[3-[(4-methylcyclohexyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione (PubChem CID 3135056) has the molecular formula C28H38N4O4 and a molecular weight of 494.64 g/mol. Its IUPAC name is 3-[(4-methylcyclohexyl)amino]-1-[4-[3-[(4-methylcyclohexyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(4-methylcyclohexyl)amino]-1-[4-[3-[(4-methylcyclohexyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione
PubChem CID3135056
Molecular FormulaC28H38N4O4
Molecular Weight494.64 g/mol
Exact Mass494.29
IUPAC Name3-[(4-methylcyclohexyl)amino]-1-[4-[3-[(4-methylcyclohexyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione
SMILESCC1CCC(NC2CC(=O)N(c3ccc(N4C(=O)CC(NC5CCC(C)CC5)C4=O)cc3)C2=O)CC1
InChIInChI=1S/C28H38N4O4/c1-17-3-7-19(8-4-17)29-23-15-25(33)31(27(23)35)21-11-13-22(14-12-21)32-26(34)16-24(28(32)36)30-20-9-5-18(2)6-10-20/h11-14,17-20,23-24,29-30H,3-10,15-16H2,1-2H3
InChIKeyPBXWJRODZFTYGF-UHFFFAOYSA-N
XLogP3.29
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[(4-methylcyclohexyl)amino]-1-[4-[3-[(4-methylcyclohexyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione with MolForge

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Related Compounds

1-(4-chlorophenyl)-3-(cyclopropylamino)pyrrolidine-2,5-dione
CID 2949824
(3R)-3-(cyclopropylamino)-1-phenylpyrrolidine-2,5-dione
CID 6543666
(3R)-3-(cyclopropylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 822055
3-(cyclopropylamino)-1-(4-propan-2-ylphenyl)pyrrolidine-2,5-dione
CID 71669978
(3S)-3-(cyclopropylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 92693012
phenacyl 4-[3-[(4-methylcyclohexyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 22782224
(3S)-1-(4-bromophenyl)-3-(cyclopentylamino)pyrrolidine-2,5-dione
CID 706670
3-(cyclopropylamino)-1-(2,6-dimethylphenyl)pyrrolidine-2,5-dione
CID 71670680
1-(4-fluorophenyl)-3-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]pyrrolidine-2,5-dione
CID 2997082
3-(cyclopropylamino)-1-(2,3-dimethylphenyl)pyrrolidine-2,5-dione
CID 71670678
(3R)-3-(cyclopropylamino)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrrolidine-2,5-dione
CID 40561365
(3S)-3-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 1230280

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylcyclohexyl)amino]-1-[4-[3-[(4-methylcyclohexyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-[(4-methylcyclohexyl)amino]-1-[4-[3-[(4-methylcyclohexyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione (CID 3135056) is 3-[(4-methylcyclohexyl)amino]-1-[4-[3-[(4-methylcyclohexyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(4-methylcyclohexyl)amino]-1-[4-[3-[(4-methylcyclohexyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(4-methylcyclohexyl)amino]-1-[4-[3-[(4-methylcyclohexyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione is CC1CCC(NC2CC(=O)N(c3ccc(N4C(=O)CC(NC5CCC(C)CC5)C4=O)cc3)C2=O)CC1.
What is the InChIKey of 3-[(4-methylcyclohexyl)amino]-1-[4-[3-[(4-methylcyclohexyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione?
The InChIKey is PBXWJRODZFTYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O4/c1-17-3-7-19(8-4-17)29-23-15-25(33)31(27(23)35)21-11-13-22(14-12-21)32-26(34)16-24(28(32)36)30-20-9-5-18(2)6-10-20/h11-14,17-20,23-24,29-30H,3-10,15-16H2,1-2H3.
What are the key properties of 3-[(4-methylcyclohexyl)amino]-1-[4-[3-[(4-methylcyclohexyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione?
3-[(4-methylcyclohexyl)amino]-1-[4-[3-[(4-methylcyclohexyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione has a molecular weight of 494.64 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylcyclohexyl)amino]-1-[4-[3-[(4-methylcyclohexyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 3135056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).