CID 58946341

C26H40NO5 — CID 58946341

IUPAC—
SMILESCCC(C)(CC(C)(C)C(=O)OC1CC(C)(C)N([O])C(C)(C)C1)C(=O)OCc1ccccc1
InChIInChI=1S/C26H40NO5/c1-9-26(8,22(29)31-17-19-13-11-10-12-14-19)18-23(2,3)21(28)32-20-15-24(4,5)27(30)25(6,7)16-20/h10-14,20H,9,15-18H2,1-8H3
InChIKeyAUPQVQLPNUTYKF-UHFFFAOYSA-N
MW446.61 g/mol
LogP5.47
Rot. Bonds8

About CID 58946341

CID 58946341 (PubChem CID 58946341) has the molecular formula C26H40NO5 and a molecular weight of 446.61 g/mol.

Molecular Properties

Compound NameCID 58946341
PubChem CID58946341
Molecular FormulaC26H40NO5
Molecular Weight446.61 g/mol
Exact Mass446.29
IUPAC Name—
SMILESCCC(C)(CC(C)(C)C(=O)OC1CC(C)(C)N([O])C(C)(C)C1)C(=O)OCc1ccccc1
InChIInChI=1S/C26H40NO5/c1-9-26(8,22(29)31-17-19-13-11-10-12-14-19)18-23(2,3)21(28)32-20-15-24(4,5)27(30)25(6,7)16-20/h10-14,20H,9,15-18H2,1-8H3
InChIKeyAUPQVQLPNUTYKF-UHFFFAOYSA-N
XLogP5.47
TPSA75.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.61
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2,2-dimethyl-3-phenylmethoxypropanoyl)oxy-2,2,6,6-tetramethylpiperidin-1-yl]oxidanium
CID 163433936
benzyl 2,2-dimethylbutanoate;1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-henicosamethylhentetracontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39-icosacarboxylic acid
CID 123711022
2-(1-methoxy-2-methyl-1-oxobutan-2-yl)-2,4-dimethyl-4-phenylmethoxycarbonylhexanoic acid
CID 58004877
benzyl (2S)-2-amino-2-methylbutanoate
CID 15660566
CID 46192058
CID 46192058
pentacyclopentyl 1,1,3,5,7,9-hexamethylundecane-1,3,5,7,9-pentacarboxylate
CID 66603061
benzyl 2,2-dimethylbutanoate;methyl 2,2-dimethylbutanoate
CID 165018733
5-O-benzyl 1-O-(2-hydroxyethyl) 2,2,4,4-tetramethylpentanedioate
CID 146490223
bis[1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl] 2,2-dibenzylpropanedioate
CID 20512163
bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,4-diethyl-2,4-dimethylpentanedioate
CID 145333560
1-O-methyl 5-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 2,2,4,4-tetramethylpentanedioate
CID 154990497
benzyl 2-amino-2-hydroxypropanoate
CID 67630480

Frequently Asked Questions

What is the IUPAC name of CID 58946341?
The IUPAC name of CID 58946341 (CID 58946341) is not available.
What is the SMILES notation for CID 58946341?
The canonical SMILES for CID 58946341 is CCC(C)(CC(C)(C)C(=O)OC1CC(C)(C)N([O])C(C)(C)C1)C(=O)OCc1ccccc1.
What is the InChIKey of CID 58946341?
The InChIKey is AUPQVQLPNUTYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40NO5/c1-9-26(8,22(29)31-17-19-13-11-10-12-14-19)18-23(2,3)21(28)32-20-15-24(4,5)27(30)25(6,7)16-20/h10-14,20H,9,15-18H2,1-8H3.
What are the key properties of CID 58946341?
CID 58946341 has a molecular weight of 446.61 g/mol, XLogP of 5.47, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58946341 is sourced from PubChem (CID 58946341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).