[4-[(4-methylcyclohexyl)carbamoyl]cyclohexyl]methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate

C24H42N2O3 — CID 146527730

IUPAC[4-[(4-methylcyclohexyl)carbamoyl]cyclohexyl]methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate
SMILESCC1CCC(NC(=O)C2CCC(COC(=O)C3CC(C)(C)NC3(C)C)CC2)CC1
InChIInChI=1S/C24H42N2O3/c1-16-6-12-19(13-7-16)25-21(27)18-10-8-17(9-11-18)15-29-22(28)20-14-23(2,3)26-24(20,4)5/h16-20,26H,6-15H2,1-5H3,(H,25,27)
InChIKeyNIDPWAIKMMAMDY-UHFFFAOYSA-N
MW406.61 g/mol
LogP4.20
Rot. Bonds5

About [4-[(4-methylcyclohexyl)carbamoyl]cyclohexyl]methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate

[4-[(4-methylcyclohexyl)carbamoyl]cyclohexyl]methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate (PubChem CID 146527730) has the molecular formula C24H42N2O3 and a molecular weight of 406.61 g/mol. Its IUPAC name is [4-[(4-methylcyclohexyl)carbamoyl]cyclohexyl]methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[4-[(4-methylcyclohexyl)carbamoyl]cyclohexyl]methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate
PubChem CID146527730
Molecular FormulaC24H42N2O3
Molecular Weight406.61 g/mol
Exact Mass406.32
IUPAC Name[4-[(4-methylcyclohexyl)carbamoyl]cyclohexyl]methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate
SMILESCC1CCC(NC(=O)C2CCC(COC(=O)C3CC(C)(C)NC3(C)C)CC2)CC1
InChIInChI=1S/C24H42N2O3/c1-16-6-12-19(13-7-16)25-21(27)18-10-8-17(9-11-18)15-29-22(28)20-14-23(2,3)26-24(20,4)5/h16-20,26H,6-15H2,1-5H3,(H,25,27)
InChIKeyNIDPWAIKMMAMDY-UHFFFAOYSA-N
XLogP4.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.61
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[(4-methylcyclohexyl)carbamoyl]cyclohexyl]methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate with MolForge

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Related Compounds

N-(4-methylcyclohexyl)-4-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxymethyl]cyclohexane-1-carboxamide
CID 146527728
[4-[4-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxymethyl]cyclohexyl]cyclohexyl]methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate
CID 138724207
N-(4,4-dimethylcyclohexyl)-4-methylcyclohexane-1-carboxamide
CID 141160516
7-(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyheptyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate
CID 138723922
bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclohexane-1,4-dicarboxylate
CID 138723963
[4-[4-(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxycyclohexyl]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[4-(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxycyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-[4-[2-(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyethyl]cyclohexyl]cyclohexyl]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-[2-(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyethyl]cyclohexyl]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[4-[4-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxymethyl]cyclohexyl]cyclohexyl]methyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[4-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxymethyl]cyclohexyl]methyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate
CID 160998933
2-[3,5-bis[2-(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyethoxy]cyclohexyl]oxyethyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate
CID 138724284
N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopentanecarboxamide
CID 14697374
N-cyclohexyl-2,2,6,6-tetramethylpiperidine-4-carboxamide
CID 90092330
methyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate
CID 115617179
ethane;(4-methylcyclohexyl)methyl acetate
CID 144507702
ethyl 4-[(4-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate
CID 60945042

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methylcyclohexyl)carbamoyl]cyclohexyl]methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate?
The IUPAC name of [4-[(4-methylcyclohexyl)carbamoyl]cyclohexyl]methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate (CID 146527730) is [4-[(4-methylcyclohexyl)carbamoyl]cyclohexyl]methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate.
What is the SMILES notation for [4-[(4-methylcyclohexyl)carbamoyl]cyclohexyl]methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate?
The canonical SMILES for [4-[(4-methylcyclohexyl)carbamoyl]cyclohexyl]methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate is CC1CCC(NC(=O)C2CCC(COC(=O)C3CC(C)(C)NC3(C)C)CC2)CC1.
What is the InChIKey of [4-[(4-methylcyclohexyl)carbamoyl]cyclohexyl]methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate?
The InChIKey is NIDPWAIKMMAMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N2O3/c1-16-6-12-19(13-7-16)25-21(27)18-10-8-17(9-11-18)15-29-22(28)20-14-23(2,3)26-24(20,4)5/h16-20,26H,6-15H2,1-5H3,(H,25,27).
What are the key properties of [4-[(4-methylcyclohexyl)carbamoyl]cyclohexyl]methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate?
[4-[(4-methylcyclohexyl)carbamoyl]cyclohexyl]methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate has a molecular weight of 406.61 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methylcyclohexyl)carbamoyl]cyclohexyl]methyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate is sourced from PubChem (CID 146527730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).