CID 140895329

C43H74N4O10 — CID 140895329

IUPAC—
SMILESCC1(C)CC(COC(=O)C(CC(=O)OCC2CC(C)(C)N([O])C2(C)C)C(CC(=O)OC2CC(C)(C)N([O])C2(C)C)C(=O)OCC2CC(C)(C)NC2(C)C)C(C)(C)N1
InChIInChI=1S/C43H74N4O10/c1-36(2)19-26(40(9,10)44-36)23-55-34(50)29(17-32(48)54-25-28-21-38(5,6)46(52)42(28,13)14)30(35(51)56-24-27-20-37(3,4)45-41(27,11)12)18-33(49)57-31-22-39(7,8)47(53)43(31,15)16/h26-31,44-45H,17-25H2,1-16H3
InChIKeySVGQAMNGKWRBNX-UHFFFAOYSA-N
MW807.08 g/mol
LogP5.71
Rot. Bonds14

About CID 140895329

CID 140895329 (PubChem CID 140895329) has the molecular formula C43H74N4O10 and a molecular weight of 807.08 g/mol.

Molecular Properties

Compound NameCID 140895329
PubChem CID140895329
Molecular FormulaC43H74N4O10
Molecular Weight807.08 g/mol
Exact Mass806.54
IUPAC Name—
SMILESCC1(C)CC(COC(=O)C(CC(=O)OCC2CC(C)(C)N([O])C2(C)C)C(CC(=O)OC2CC(C)(C)N([O])C2(C)C)C(=O)OCC2CC(C)(C)NC2(C)C)C(C)(C)N1
InChIInChI=1S/C43H74N4O10/c1-36(2)19-26(40(9,10)44-36)23-55-34(50)29(17-32(48)54-25-28-21-38(5,6)46(52)42(28,13)14)30(35(51)56-24-27-20-37(3,4)45-41(27,11)12)18-33(49)57-31-22-39(7,8)47(53)43(31,15)16/h26-31,44-45H,17-25H2,1-16H3
InChIKeySVGQAMNGKWRBNX-UHFFFAOYSA-N
XLogP5.71
TPSA175.54 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500807.08
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

CID 140895380
CID 140895380
tetrakis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] butane-1,2,3,4-tetracarboxylate
CID 138723976
(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate
CID 138724844
1-O-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 5-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 3-[2-hydroxy-2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]pentanedioate
CID 146527756
2-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 1-O,4-O,5-O-tris[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] benzene-1,2,4,5-tetracarboxylate
CID 138724121
1-O-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methyl] 7-O-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-methoxy-4-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]heptanedioate
CID 140895320
methane;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[2-[bis[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl]amino]acetate;(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-[2-[[2-oxo-2-[(1,2,2,5,5-pentamethylpyrrolidin-3-yl)methoxy]ethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]ethyl]amino]acetate;dihydrate
CID 158036203
tris[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 2-hydroxypropane-1,2,3-tricarboxylate
CID 138723945
bis[(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] cyclohexane-1,4-dicarboxylate
CID 138723963
bis[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methyl] 4-[2-hydroxy-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]-4-methoxyheptanedioate
CID 138724250
CID 162782148
CID 162782148
CID 58178672
CID 58178672

Frequently Asked Questions

What is the IUPAC name of CID 140895329?
The IUPAC name of CID 140895329 (CID 140895329) is not available.
What is the SMILES notation for CID 140895329?
The canonical SMILES for CID 140895329 is CC1(C)CC(COC(=O)C(CC(=O)OCC2CC(C)(C)N([O])C2(C)C)C(CC(=O)OC2CC(C)(C)N([O])C2(C)C)C(=O)OCC2CC(C)(C)NC2(C)C)C(C)(C)N1.
What is the InChIKey of CID 140895329?
The InChIKey is SVGQAMNGKWRBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H74N4O10/c1-36(2)19-26(40(9,10)44-36)23-55-34(50)29(17-32(48)54-25-28-21-38(5,6)46(52)42(28,13)14)30(35(51)56-24-27-20-37(3,4)45-41(27,11)12)18-33(49)57-31-22-39(7,8)47(53)43(31,15)16/h26-31,44-45H,17-25H2,1-16H3.
What are the key properties of CID 140895329?
CID 140895329 has a molecular weight of 807.08 g/mol, XLogP of 5.71, 14 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140895329 is sourced from PubChem (CID 140895329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).