(4-tert-butylcyclohexyl) prop-2-enoate;N-cyclohexyl-N-methylprop-2-enamide;cyclohexylmethyl prop-2-enoate;N-cyclohexylprop-2-enamide;cyclopentyl prop-2-enoate;(2,3-dimethylcyclohexyl) prop-2-enoate;(3,5-dimethylcyclohexyl) prop-2-enoate;N-(4-methylcyclohexyl)prop-2-enamide;(1-methylcyclopentyl) prop-2-enoate;(3,3,5,5-tetramethylcyclohexyl) prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate

C117H191N3O19 — CID 157451053

About (4-tert-butylcyclohexyl) prop-2-enoate;N-cyclohexyl-N-methylprop-2-enamide;cyclohexylmethyl prop-2-enoate;N-cyclohexylprop-2-enamide;cyclopentyl prop-2-enoate;(2,3-dimethylcyclohexyl) prop-2-enoate;(3,5-dimethylcyclohexyl) prop-2-enoate;N-(4-methylcyclohexyl)prop-2-enamide;(1-methylcyclopentyl) prop-2-enoate;(3,3,5,5-tetramethylcyclohexyl) prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate

(4-tert-butylcyclohexyl) prop-2-enoate;N-cyclohexyl-N-methylprop-2-enamide;cyclohexylmethyl prop-2-enoate;N-cyclohexylprop-2-enamide;cyclopentyl prop-2-enoate;(2,3-dimethylcyclohexyl) prop-2-enoate;(3,5-dimethylcyclohexyl) prop-2-enoate;N-(4-methylcyclohexyl)prop-2-enamide;(1-methylcyclopentyl) prop-2-enoate;(3,3,5,5-tetramethylcyclohexyl) prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate (PubChem CID 157451053) has the molecular formula C117H191N3O19 and a molecular weight of 1943.82 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl) prop-2-enoate;N-cyclohexyl-N-methylprop-2-enamide;cyclohexylmethyl prop-2-enoate;N-cyclohexylprop-2-enamide;cyclopentyl prop-2-enoate;(2,3-dimethylcyclohexyl) prop-2-enoate;(3,5-dimethylcyclohexyl) prop-2-enoate;N-(4-methylcyclohexyl)prop-2-enamide;(1-methylcyclopentyl) prop-2-enoate;(3,3,5,5-tetramethylcyclohexyl) prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate.

Molecular Properties

• Compound Name: (4-tert-butylcyclohexyl) prop-2-enoate;N-cyclohexyl-N-methylprop-2-enamide;cyclohexylmethyl prop-2-enoate;N-cyclohexylprop-2-enamide;cyclopentyl prop-2-enoate;(2,3-dimethylcyclohexyl) prop-2-enoate;(3,5-dimethylcyclohexyl) prop-2-enoate;N-(4-methylcyclohexyl)prop-2-enamide;(1-methylcyclopentyl) prop-2-enoate;(3,3,5,5-tetramethylcyclohexyl) prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate
• PubChem CID: 157451053
• Molecular Formula: C117H191N3O19
• Molecular Weight: 1943.82 g/mol
• Exact Mass: 1942.41
• IUPAC Name: (4-tert-butylcyclohexyl) prop-2-enoate;N-cyclohexyl-N-methylprop-2-enamide;cyclohexylmethyl prop-2-enoate;N-cyclohexylprop-2-enamide;cyclopentyl prop-2-enoate;(2,3-dimethylcyclohexyl) prop-2-enoate;(3,5-dimethylcyclohexyl) prop-2-enoate;N-(4-methylcyclohexyl)prop-2-enamide;(1-methylcyclopentyl) prop-2-enoate;(3,3,5,5-tetramethylcyclohexyl) prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate
• SMILES: C=CC(=O)N(C)C1CCCCC1.C=CC(=O)NC1CCC(C)CC1.C=CC(=O)NC1CCCCC1.C=CC(=O)OC1(C)CCCC1.C=CC(=O)OC1CC(C)(C)CC(C)(C)C1.C=CC(=O)OC1CC(C)CC(C)C1.C=CC(=O)OC1CC2CCC1(C)C2(C)C.C=CC(=O)OC1CCC(C(C)(C)C)CC1.C=CC(=O)OC1CCCC(C)C1C.C=CC(=O)OC1CCCC1.C=CC(=O)OCC1CCCCC1
• InChI: InChI=1S/C13H20O2.2C13H22O2.2C11H18O2.2C10H17NO.C10H16O2.C9H15NO.C9H14O2.C8H12O2/c1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3;1-6-11(14)15-10-7-12(2,3)9-13(4,5)8-10;1-5-12(14)15-11-8-6-10(7-9-11)13(2,3)4;1-4-11(12)13-10-6-8(2)5-9(3)7-10;1-4-11(12)13-10-7-5-6-8(2)9(10)3;1-3-10(12)11-9-6-4-8(2)5-7-9;1-3-10(12)11(2)9-7-5-4-6-8-9;1-2-10(11)12-8-9-6-4-3-5-7-9;1-2-9(11)10-8-6-4-3-5-7-8;1-3-8(10)11-9(2)6-4-5-7-9;1-2-8(9)10-7-5-3-4-6-7/h5,9-10H,1,6-8H2,2-4H3;6,10H,1,7-9H2,2-5H3;5,10-11H,1,6-9H2,2-4H3;2*4,8-10H,1,5-7H2,2-3H3;3,8-9H,1,4-7H2,2H3,(H,11,12);3,9H,1,4-8H2,2H3;2,9H,1,3-8H2;2,8H,1,3-7H2,(H,10,11);3H,1,4-7H2,2H3;2,7H,1,3-6H2
• InChIKey: BSUPGULBAQXYDZ-UHFFFAOYSA-N
• XLogP: 26.11
• TPSA: 288.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 23
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1943.82
LogP ≤ 5	26.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexyl) prop-2-enoate;N-cyclohexyl-N-methylprop-2-enamide;cyclohexylmethyl prop-2-enoate;N-cyclohexylprop-2-enamide;cyclopentyl prop-2-enoate;(2,3-dimethylcyclohexyl) prop-2-enoate;(3,5-dimethylcyclohexyl) prop-2-enoate;N-(4-methylcyclohexyl)prop-2-enamide;(1-methylcyclopentyl) prop-2-enoate;(3,3,5,5-tetramethylcyclohexyl) prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate?

The IUPAC name of (4-tert-butylcyclohexyl) prop-2-enoate;N-cyclohexyl-N-methylprop-2-enamide;cyclohexylmethyl prop-2-enoate;N-cyclohexylprop-2-enamide;cyclopentyl prop-2-enoate;(2,3-dimethylcyclohexyl) prop-2-enoate;(3,5-dimethylcyclohexyl) prop-2-enoate;N-(4-methylcyclohexyl)prop-2-enamide;(1-methylcyclopentyl) prop-2-enoate;(3,3,5,5-tetramethylcyclohexyl) prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate (CID 157451053) is (4-tert-butylcyclohexyl) prop-2-enoate;N-cyclohexyl-N-methylprop-2-enamide;cyclohexylmethyl prop-2-enoate;N-cyclohexylprop-2-enamide;cyclopentyl prop-2-enoate;(2,3-dimethylcyclohexyl) prop-2-enoate;(3,5-dimethylcyclohexyl) prop-2-enoate;N-(4-methylcyclohexyl)prop-2-enamide;(1-methylcyclopentyl) prop-2-enoate;(3,3,5,5-tetramethylcyclohexyl) prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate.

What is the SMILES notation for (4-tert-butylcyclohexyl) prop-2-enoate;N-cyclohexyl-N-methylprop-2-enamide;cyclohexylmethyl prop-2-enoate;N-cyclohexylprop-2-enamide;cyclopentyl prop-2-enoate;(2,3-dimethylcyclohexyl) prop-2-enoate;(3,5-dimethylcyclohexyl) prop-2-enoate;N-(4-methylcyclohexyl)prop-2-enamide;(1-methylcyclopentyl) prop-2-enoate;(3,3,5,5-tetramethylcyclohexyl) prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate?

The canonical SMILES for (4-tert-butylcyclohexyl) prop-2-enoate;N-cyclohexyl-N-methylprop-2-enamide;cyclohexylmethyl prop-2-enoate;N-cyclohexylprop-2-enamide;cyclopentyl prop-2-enoate;(2,3-dimethylcyclohexyl) prop-2-enoate;(3,5-dimethylcyclohexyl) prop-2-enoate;N-(4-methylcyclohexyl)prop-2-enamide;(1-methylcyclopentyl) prop-2-enoate;(3,3,5,5-tetramethylcyclohexyl) prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate is C=CC(=O)N(C)C1CCCCC1.C=CC(=O)NC1CCC(C)CC1.C=CC(=O)NC1CCCCC1.C=CC(=O)OC1(C)CCCC1.C=CC(=O)OC1CC(C)(C)CC(C)(C)C1.C=CC(=O)OC1CC(C)CC(C)C1.C=CC(=O)OC1CC2CCC1(C)C2(C)C.C=CC(=O)OC1CCC(C(C)(C)C)CC1.C=CC(=O)OC1CCCC(C)C1C.C=CC(=O)OC1CCCC1.C=CC(=O)OCC1CCCCC1.

What is the InChIKey of (4-tert-butylcyclohexyl) prop-2-enoate;N-cyclohexyl-N-methylprop-2-enamide;cyclohexylmethyl prop-2-enoate;N-cyclohexylprop-2-enamide;cyclopentyl prop-2-enoate;(2,3-dimethylcyclohexyl) prop-2-enoate;(3,5-dimethylcyclohexyl) prop-2-enoate;N-(4-methylcyclohexyl)prop-2-enamide;(1-methylcyclopentyl) prop-2-enoate;(3,3,5,5-tetramethylcyclohexyl) prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate?

The InChIKey is BSUPGULBAQXYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2.2C13H22O2.2C11H18O2.2C10H17NO.C10H16O2.C9H15NO.C9H14O2.C8H12O2/c1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3;1-6-11(14)15-10-7-12(2,3)9-13(4,5)8-10;1-5-12(14)15-11-8-6-10(7-9-11)13(2,3)4;1-4-11(12)13-10-6-8(2)5-9(3)7-10;1-4-11(12)13-10-7-5-6-8(2)9(10)3;1-3-10(12)11-9-6-4-8(2)5-7-9;1-3-10(12)11(2)9-7-5-4-6-8-9;1-2-10(11)12-8-9-6-4-3-5-7-9;1-2-9(11)10-8-6-4-3-5-7-8;1-3-8(10)11-9(2)6-4-5-7-9;1-2-8(9)10-7-5-3-4-6-7/h5,9-10H,1,6-8H2,2-4H3;6,10H,1,7-9H2,2-5H3;5,10-11H,1,6-9H2,2-4H3;2*4,8-10H,1,5-7H2,2-3H3;3,8-9H,1,4-7H2,2H3,(H,11,12);3,9H,1,4-8H2,2H3;2,9H,1,3-8H2;2,8H,1,3-7H2,(H,10,11);3H,1,4-7H2,2H3;2,7H,1,3-6H2.

What are the key properties of (4-tert-butylcyclohexyl) prop-2-enoate;N-cyclohexyl-N-methylprop-2-enamide;cyclohexylmethyl prop-2-enoate;N-cyclohexylprop-2-enamide;cyclopentyl prop-2-enoate;(2,3-dimethylcyclohexyl) prop-2-enoate;(3,5-dimethylcyclohexyl) prop-2-enoate;N-(4-methylcyclohexyl)prop-2-enamide;(1-methylcyclopentyl) prop-2-enoate;(3,3,5,5-tetramethylcyclohexyl) prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate?

(4-tert-butylcyclohexyl) prop-2-enoate;N-cyclohexyl-N-methylprop-2-enamide;cyclohexylmethyl prop-2-enoate;N-cyclohexylprop-2-enamide;cyclopentyl prop-2-enoate;(2,3-dimethylcyclohexyl) prop-2-enoate;(3,5-dimethylcyclohexyl) prop-2-enoate;N-(4-methylcyclohexyl)prop-2-enamide;(1-methylcyclopentyl) prop-2-enoate;(3,3,5,5-tetramethylcyclohexyl) prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate has a molecular weight of 1943.82 g/mol, XLogP of 26.11, 23 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (4-tert-butylcyclohexyl) prop-2-enoate;N-cyclohexyl-N-methylprop-2-enamide;cyclohexylmethyl prop-2-enoate;N-cyclohexylprop-2-enamide;cyclopentyl prop-2-enoate;(2,3-dimethylcyclohexyl) prop-2-enoate;(3,5-dimethylcyclohexyl) prop-2-enoate;N-(4-methylcyclohexyl)prop-2-enamide;(1-methylcyclopentyl) prop-2-enoate;(3,3,5,5-tetramethylcyclohexyl) prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate is sourced from PubChem (CID 157451053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).