CID 169012650

C30H50N3O9 — CID 169012650

IUPAC—
SMILESCC1(C)CC(OC(=O)CC(C(=O)OC2CC(C)(C)N([O])C(C)(C)C2)C(=O)OC2CC(C)(C)N([O])C(C)(C)C2)CCN1[O]
InChIInChI=1S/C30H50N3O9/c1-26(2)14-19(11-12-31(26)37)40-23(34)13-22(24(35)41-20-15-27(3,4)32(38)28(5,6)16-20)25(36)42-21-17-29(7,8)33(39)30(9,10)18-21/h19-22H,11-18H2,1-10H3
InChIKeyNHIZQCYQDFNDRN-UHFFFAOYSA-N
MW596.74 g/mol
LogP3.94
Rot. Bonds7

About CID 169012650

CID 169012650 (PubChem CID 169012650) has the molecular formula C30H50N3O9 and a molecular weight of 596.74 g/mol.

Molecular Properties

Compound NameCID 169012650
PubChem CID169012650
Molecular FormulaC30H50N3O9
Molecular Weight596.74 g/mol
Exact Mass596.35
IUPAC Name—
SMILESCC1(C)CC(OC(=O)CC(C(=O)OC2CC(C)(C)N([O])C(C)(C)C2)C(=O)OC2CC(C)(C)N([O])C(C)(C)C2)CCN1[O]
InChIInChI=1S/C30H50N3O9/c1-26(2)14-19(11-12-31(26)37)40-23(34)13-22(24(35)41-20-15-27(3,4)32(38)28(5,6)16-20)25(36)42-21-17-29(7,8)33(39)30(9,10)18-21/h19-22H,11-18H2,1-10H3
InChIKeyNHIZQCYQDFNDRN-UHFFFAOYSA-N
XLogP3.94
TPSA148.32 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500596.74
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-O,2-O-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) ethane-1,1,2-tricarboxylate
CID 147915843
1-O,2-O-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-sulfanylpiperidin-4-yl) ethane-1,1,2-tricarboxylate
CID 145331536
1-O,2-O-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) ethane-1,1,2-tricarboxylate
CID 90132227
CID 162782158
CID 162782158
CID 102455717
CID 102455717
CID 58434340
CID 58434340
CID 58663347
CID 58663347
CID 101190614
CID 101190614
CID 140704439
CID 140704439
CID 101128218
CID 101128218
bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,4-dicarboxylate;bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;tetrakis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) benzene-1,2,4,5-tetracarboxylate;tris(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl) ethane-1,1,2-tricarboxylate
CID 158947289
CID 162782070
CID 162782070

Frequently Asked Questions

What is the IUPAC name of CID 169012650?
The IUPAC name of CID 169012650 (CID 169012650) is not available.
What is the SMILES notation for CID 169012650?
The canonical SMILES for CID 169012650 is CC1(C)CC(OC(=O)CC(C(=O)OC2CC(C)(C)N([O])C(C)(C)C2)C(=O)OC2CC(C)(C)N([O])C(C)(C)C2)CCN1[O].
What is the InChIKey of CID 169012650?
The InChIKey is NHIZQCYQDFNDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H50N3O9/c1-26(2)14-19(11-12-31(26)37)40-23(34)13-22(24(35)41-20-15-27(3,4)32(38)28(5,6)16-20)25(36)42-21-17-29(7,8)33(39)30(9,10)18-21/h19-22H,11-18H2,1-10H3.
What are the key properties of CID 169012650?
CID 169012650 has a molecular weight of 596.74 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 169012650 is sourced from PubChem (CID 169012650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).