N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-methoxy-N-prop-2-ynylbenzamide;N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-4-methyl-N-prop-2-ynylbenzamide;N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodo-N-prop-2-ynylbenzamide;bis(cyclohexanecarbaldehyde);cyclopentanecarbaldehyde;2-iodobenzoic acid;tris(1-isocyanobutane);2-methoxybenzoic acid;4-methylbenzoic acid;tris(prop-2-yn-1-amine)

C134H188I2N12O17 — CID 158480946

About N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-methoxy-N-prop-2-ynylbenzamide;N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-4-methyl-N-prop-2-ynylbenzamide;N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodo-N-prop-2-ynylbenzamide;bis(cyclohexanecarbaldehyde);cyclopentanecarbaldehyde;2-iodobenzoic acid;tris(1-isocyanobutane);2-methoxybenzoic acid;4-methylbenzoic acid;tris(prop-2-yn-1-amine)

N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-methoxy-N-prop-2-ynylbenzamide;N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-4-methyl-N-prop-2-ynylbenzamide;N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodo-N-prop-2-ynylbenzamide;bis(cyclohexanecarbaldehyde);cyclopentanecarbaldehyde;2-iodobenzoic acid;tris(1-isocyanobutane);2-methoxybenzoic acid;4-methylbenzoic acid;tris(prop-2-yn-1-amine) (PubChem CID 158480946) has the molecular formula C134H188I2N12O17 and a molecular weight of 2492.85 g/mol. Its IUPAC name is N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-methoxy-N-prop-2-ynylbenzamide;N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-4-methyl-N-prop-2-ynylbenzamide;N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodo-N-prop-2-ynylbenzamide;bis(cyclohexanecarbaldehyde);cyclopentanecarbaldehyde;2-iodobenzoic acid;tris(1-isocyanobutane);2-methoxybenzoic acid;4-methylbenzoic acid;tris(prop-2-yn-1-amine).

Molecular Properties

• Compound Name: N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-methoxy-N-prop-2-ynylbenzamide;N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-4-methyl-N-prop-2-ynylbenzamide;N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodo-N-prop-2-ynylbenzamide;bis(cyclohexanecarbaldehyde);cyclopentanecarbaldehyde;2-iodobenzoic acid;tris(1-isocyanobutane);2-methoxybenzoic acid;4-methylbenzoic acid;tris(prop-2-yn-1-amine)
• PubChem CID: 158480946
• Molecular Formula: C134H188I2N12O17
• Molecular Weight: 2492.85 g/mol
• Exact Mass: 2491.23
• IUPAC Name: N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-methoxy-N-prop-2-ynylbenzamide;N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-4-methyl-N-prop-2-ynylbenzamide;N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodo-N-prop-2-ynylbenzamide;bis(cyclohexanecarbaldehyde);cyclopentanecarbaldehyde;2-iodobenzoic acid;tris(1-isocyanobutane);2-methoxybenzoic acid;4-methylbenzoic acid;tris(prop-2-yn-1-amine)
• SMILES: C#CCN.C#CCN.C#CCN.C#CCN(C(=O)c1ccc(C)cc1)C(C(=O)NCCCC)C1CCCCC1.C#CCN(C(=O)c1ccccc1I)C(C(=O)NCCCC)C1CCCC1.C#CCN(C(=O)c1ccccc1OC)C(C(=O)NCCCC)C1CCCCC1.COc1ccccc1C(=O)O.Cc1ccc(C(=O)O)cc1.O=C(O)c1ccccc1I.O=CC1CCCC1.O=CC1CCCCC1.O=CC1CCCCC1.[C-]#[N+]CCCC.[C-]#[N+]CCCC.[C-]#[N+]CCCC
• InChI: InChI=1S/C23H32N2O3.C23H32N2O2.C21H27IN2O2.C8H8O3.C8H8O2.C7H5IO2.2C7H12O.C6H10O.3C5H9N.3C3H5N/c1-4-6-16-24-22(26)21(18-12-8-7-9-13-18)25(17-5-2)23(27)19-14-10-11-15-20(19)28-3;1-4-6-16-24-22(26)21(19-10-8-7-9-11-19)25(17-5-2)23(27)20-14-12-18(3)13-15-20;1-3-5-14-23-20(25)19(16-10-6-7-11-16)24(15-4-2)21(26)17-12-8-9-13-18(17)22;1-11-7-5-3-2-4-6(7)8(9)10;1-6-2-4-7(5-3-6)8(9)10;8-6-4-2-1-3-5(6)7(9)10;2*8-6-7-4-2-1-3-5-7;7-5-6-3-1-2-4-6;3*1-3-4-5-6-2;3*1-2-3-4/h2,10-11,14-15,18,21H,4,6-9,12-13,16-17H2,1,3H3,(H,24,26);2,12-15,19,21H,4,6-11,16-17H2,1,3H3,(H,24,26);2,8-9,12-13,16,19H,3,5-7,10-11,14-15H2,1H3,(H,23,25);2-5H,1H3,(H,9,10);2-5H,1H3,(H,9,10);1-4H,(H,9,10);2*6-7H,1-5H2;5-6H,1-4H2;3*3-5H2,1H3;3*1H,3-4H2
• InChIKey: HHNAKDNWMYLRJW-UHFFFAOYSA-N
• XLogP: 25.25
• TPSA: 420.94 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 17
• Rotatable Bonds: 38
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2492.85
LogP ≤ 5	25.25
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-methoxy-N-prop-2-ynylbenzamide;N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-4-methyl-N-prop-2-ynylbenzamide;N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodo-N-prop-2-ynylbenzamide;bis(cyclohexanecarbaldehyde);cyclopentanecarbaldehyde;2-iodobenzoic acid;tris(1-isocyanobutane);2-methoxybenzoic acid;4-methylbenzoic acid;tris(prop-2-yn-1-amine)?

The IUPAC name of N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-methoxy-N-prop-2-ynylbenzamide;N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-4-methyl-N-prop-2-ynylbenzamide;N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodo-N-prop-2-ynylbenzamide;bis(cyclohexanecarbaldehyde);cyclopentanecarbaldehyde;2-iodobenzoic acid;tris(1-isocyanobutane);2-methoxybenzoic acid;4-methylbenzoic acid;tris(prop-2-yn-1-amine) (CID 158480946) is N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-methoxy-N-prop-2-ynylbenzamide;N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-4-methyl-N-prop-2-ynylbenzamide;N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodo-N-prop-2-ynylbenzamide;bis(cyclohexanecarbaldehyde);cyclopentanecarbaldehyde;2-iodobenzoic acid;tris(1-isocyanobutane);2-methoxybenzoic acid;4-methylbenzoic acid;tris(prop-2-yn-1-amine).

What is the SMILES notation for N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-methoxy-N-prop-2-ynylbenzamide;N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-4-methyl-N-prop-2-ynylbenzamide;N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodo-N-prop-2-ynylbenzamide;bis(cyclohexanecarbaldehyde);cyclopentanecarbaldehyde;2-iodobenzoic acid;tris(1-isocyanobutane);2-methoxybenzoic acid;4-methylbenzoic acid;tris(prop-2-yn-1-amine)?

The canonical SMILES for N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-methoxy-N-prop-2-ynylbenzamide;N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-4-methyl-N-prop-2-ynylbenzamide;N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodo-N-prop-2-ynylbenzamide;bis(cyclohexanecarbaldehyde);cyclopentanecarbaldehyde;2-iodobenzoic acid;tris(1-isocyanobutane);2-methoxybenzoic acid;4-methylbenzoic acid;tris(prop-2-yn-1-amine) is C#CCN.C#CCN.C#CCN.C#CCN(C(=O)c1ccc(C)cc1)C(C(=O)NCCCC)C1CCCCC1.C#CCN(C(=O)c1ccccc1I)C(C(=O)NCCCC)C1CCCC1.C#CCN(C(=O)c1ccccc1OC)C(C(=O)NCCCC)C1CCCCC1.COc1ccccc1C(=O)O.Cc1ccc(C(=O)O)cc1.O=C(O)c1ccccc1I.O=CC1CCCC1.O=CC1CCCCC1.O=CC1CCCCC1.[C-]#[N+]CCCC.[C-]#[N+]CCCC.[C-]#[N+]CCCC.

What is the InChIKey of N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-methoxy-N-prop-2-ynylbenzamide;N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-4-methyl-N-prop-2-ynylbenzamide;N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodo-N-prop-2-ynylbenzamide;bis(cyclohexanecarbaldehyde);cyclopentanecarbaldehyde;2-iodobenzoic acid;tris(1-isocyanobutane);2-methoxybenzoic acid;4-methylbenzoic acid;tris(prop-2-yn-1-amine)?

The InChIKey is HHNAKDNWMYLRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3.C23H32N2O2.C21H27IN2O2.C8H8O3.C8H8O2.C7H5IO2.2C7H12O.C6H10O.3C5H9N.3C3H5N/c1-4-6-16-24-22(26)21(18-12-8-7-9-13-18)25(17-5-2)23(27)19-14-10-11-15-20(19)28-3;1-4-6-16-24-22(26)21(19-10-8-7-9-11-19)25(17-5-2)23(27)20-14-12-18(3)13-15-20;1-3-5-14-23-20(25)19(16-10-6-7-11-16)24(15-4-2)21(26)17-12-8-9-13-18(17)22;1-11-7-5-3-2-4-6(7)8(9)10;1-6-2-4-7(5-3-6)8(9)10;8-6-4-2-1-3-5(6)7(9)10;2*8-6-7-4-2-1-3-5-7;7-5-6-3-1-2-4-6;3*1-3-4-5-6-2;3*1-2-3-4/h2,10-11,14-15,18,21H,4,6-9,12-13,16-17H2,1,3H3,(H,24,26);2,12-15,19,21H,4,6-11,16-17H2,1,3H3,(H,24,26);2,8-9,12-13,16,19H,3,5-7,10-11,14-15H2,1H3,(H,23,25);2-5H,1H3,(H,9,10);2-5H,1H3,(H,9,10);1-4H,(H,9,10);2*6-7H,1-5H2;5-6H,1-4H2;3*3-5H2,1H3;3*1H,3-4H2.

What are the key properties of N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-methoxy-N-prop-2-ynylbenzamide;N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-4-methyl-N-prop-2-ynylbenzamide;N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodo-N-prop-2-ynylbenzamide;bis(cyclohexanecarbaldehyde);cyclopentanecarbaldehyde;2-iodobenzoic acid;tris(1-isocyanobutane);2-methoxybenzoic acid;4-methylbenzoic acid;tris(prop-2-yn-1-amine)?

N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-methoxy-N-prop-2-ynylbenzamide;N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-4-methyl-N-prop-2-ynylbenzamide;N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodo-N-prop-2-ynylbenzamide;bis(cyclohexanecarbaldehyde);cyclopentanecarbaldehyde;2-iodobenzoic acid;tris(1-isocyanobutane);2-methoxybenzoic acid;4-methylbenzoic acid;tris(prop-2-yn-1-amine) has a molecular weight of 2492.85 g/mol, XLogP of 25.25, 38 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-2-methoxy-N-prop-2-ynylbenzamide;N-[2-(butylamino)-1-cyclohexyl-2-oxoethyl]-4-methyl-N-prop-2-ynylbenzamide;N-[2-(butylamino)-1-cyclopentyl-2-oxoethyl]-2-iodo-N-prop-2-ynylbenzamide;bis(cyclohexanecarbaldehyde);cyclopentanecarbaldehyde;2-iodobenzoic acid;tris(1-isocyanobutane);2-methoxybenzoic acid;4-methylbenzoic acid;tris(prop-2-yn-1-amine) is sourced from PubChem (CID 158480946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).