tris(tert-butyl 1-[4-(diethylcarbamoyl)-2-hydroxyphenyl]spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1'-carboxylate);bis(N,N-diethyl-3-hydroxy-4-spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-ylbenzamide);methane

C142H192N10O16 — CID 158385639

About tris(tert-butyl 1-[4-(diethylcarbamoyl)-2-hydroxyphenyl]spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1'-carboxylate);bis(N,N-diethyl-3-hydroxy-4-spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-ylbenzamide);methane

tris(tert-butyl 1-[4-(diethylcarbamoyl)-2-hydroxyphenyl]spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1'-carboxylate);bis(N,N-diethyl-3-hydroxy-4-spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-ylbenzamide);methane (PubChem CID 158385639) has the molecular formula C142H192N10O16 and a molecular weight of 2295.15 g/mol. Its IUPAC name is tris(tert-butyl 1-[4-(diethylcarbamoyl)-2-hydroxyphenyl]spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1'-carboxylate);bis(N,N-diethyl-3-hydroxy-4-spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-ylbenzamide);methane.

Molecular Properties

• Compound Name: tris(tert-butyl 1-[4-(diethylcarbamoyl)-2-hydroxyphenyl]spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1'-carboxylate);bis(N,N-diethyl-3-hydroxy-4-spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-ylbenzamide);methane
• PubChem CID: 158385639
• Molecular Formula: C142H192N10O16
• Molecular Weight: 2295.15 g/mol
• Exact Mass: 2293.45
• IUPAC Name: tris(tert-butyl 1-[4-(diethylcarbamoyl)-2-hydroxyphenyl]spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1'-carboxylate);bis(N,N-diethyl-3-hydroxy-4-spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-ylbenzamide);methane
• SMILES: C.C.CCN(CC)C(=O)c1ccc(C2CC3(CCN(C(=O)OC(C)(C)C)CC3)Cc3ccccc32)c(O)c1.CCN(CC)C(=O)c1ccc(C2CC3(CCN(C(=O)OC(C)(C)C)CC3)Cc3ccccc32)c(O)c1.CCN(CC)C(=O)c1ccc(C2CC3(CCN(C(=O)OC(C)(C)C)CC3)Cc3ccccc32)c(O)c1.CCN(CC)C(=O)c1ccc(C2CC3(CCNCC3)Cc3ccccc32)c(O)c1.CCN(CC)C(=O)c1ccc(C2CC3(CCNCC3)Cc3ccccc32)c(O)c1
• InChI: InChI=1S/3C30H40N2O4.2C25H32N2O2.2CH4/c3*1-6-31(7-2)27(34)21-12-13-24(26(33)18-21)25-20-30(19-22-10-8-9-11-23(22)25)14-16-32(17-15-30)28(35)36-29(3,4)5;2*1-3-27(4-2)24(29)18-9-10-21(23(28)15-18)22-17-25(11-13-26-14-12-25)16-19-7-5-6-8-20(19)22;;/h3*8-13,18,25,33H,6-7,14-17,19-20H2,1-5H3;2*5-10,15,22,26,28H,3-4,11-14,16-17H2,1-2H3;2*1H4
• InChIKey: GWIJCQGHVAKIED-UHFFFAOYSA-N
• XLogP: 27.83
• TPSA: 315.38 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 18
• Rotatable Bonds: 20
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2295.15
LogP ≤ 5	27.83
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tris(tert-butyl 1-[4-(diethylcarbamoyl)-2-hydroxyphenyl]spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1'-carboxylate);bis(N,N-diethyl-3-hydroxy-4-spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-ylbenzamide);methane?

The IUPAC name of tris(tert-butyl 1-[4-(diethylcarbamoyl)-2-hydroxyphenyl]spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1'-carboxylate);bis(N,N-diethyl-3-hydroxy-4-spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-ylbenzamide);methane (CID 158385639) is tris(tert-butyl 1-[4-(diethylcarbamoyl)-2-hydroxyphenyl]spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1'-carboxylate);bis(N,N-diethyl-3-hydroxy-4-spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-ylbenzamide);methane.

What is the SMILES notation for tris(tert-butyl 1-[4-(diethylcarbamoyl)-2-hydroxyphenyl]spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1'-carboxylate);bis(N,N-diethyl-3-hydroxy-4-spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-ylbenzamide);methane?

The canonical SMILES for tris(tert-butyl 1-[4-(diethylcarbamoyl)-2-hydroxyphenyl]spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1'-carboxylate);bis(N,N-diethyl-3-hydroxy-4-spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-ylbenzamide);methane is C.C.CCN(CC)C(=O)c1ccc(C2CC3(CCN(C(=O)OC(C)(C)C)CC3)Cc3ccccc32)c(O)c1.CCN(CC)C(=O)c1ccc(C2CC3(CCN(C(=O)OC(C)(C)C)CC3)Cc3ccccc32)c(O)c1.CCN(CC)C(=O)c1ccc(C2CC3(CCN(C(=O)OC(C)(C)C)CC3)Cc3ccccc32)c(O)c1.CCN(CC)C(=O)c1ccc(C2CC3(CCNCC3)Cc3ccccc32)c(O)c1.CCN(CC)C(=O)c1ccc(C2CC3(CCNCC3)Cc3ccccc32)c(O)c1.

What is the InChIKey of tris(tert-butyl 1-[4-(diethylcarbamoyl)-2-hydroxyphenyl]spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1'-carboxylate);bis(N,N-diethyl-3-hydroxy-4-spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-ylbenzamide);methane?

The InChIKey is GWIJCQGHVAKIED-UHFFFAOYSA-N. The full InChI is InChI=1S/3C30H40N2O4.2C25H32N2O2.2CH4/c3*1-6-31(7-2)27(34)21-12-13-24(26(33)18-21)25-20-30(19-22-10-8-9-11-23(22)25)14-16-32(17-15-30)28(35)36-29(3,4)5;2*1-3-27(4-2)24(29)18-9-10-21(23(28)15-18)22-17-25(11-13-26-14-12-25)16-19-7-5-6-8-20(19)22;;/h3*8-13,18,25,33H,6-7,14-17,19-20H2,1-5H3;2*5-10,15,22,26,28H,3-4,11-14,16-17H2,1-2H3;2*1H4.

What are the key properties of tris(tert-butyl 1-[4-(diethylcarbamoyl)-2-hydroxyphenyl]spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1'-carboxylate);bis(N,N-diethyl-3-hydroxy-4-spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-ylbenzamide);methane?

tris(tert-butyl 1-[4-(diethylcarbamoyl)-2-hydroxyphenyl]spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1'-carboxylate);bis(N,N-diethyl-3-hydroxy-4-spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-ylbenzamide);methane has a molecular weight of 2295.15 g/mol, XLogP of 27.83, 20 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for tris(tert-butyl 1-[4-(diethylcarbamoyl)-2-hydroxyphenyl]spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1'-carboxylate);bis(N,N-diethyl-3-hydroxy-4-spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1-ylbenzamide);methane is sourced from PubChem (CID 158385639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).