5-[2-[3,5-bis[[[2-(2-methylpropoxy)benzoyl]amino]carbamoyl]phenoxy]ethoxy]-1-N',3-N'-bis[2-(2-methylpropoxy)benzoyl]benzene-1,3-dicarbohydrazide

C62H70N8O14 — CID 102166261

IUPAC5-[2-[3,5-bis[[[2-(2-methylpropoxy)benzoyl]amino]carbamoyl]phenoxy]ethoxy]-1-N',3-N'-bis[2-(2-methylpropoxy)benzoyl]benzene-1,3-dicarbohydrazide
SMILESCC(C)COc1ccccc1C(=O)NNC(=O)c1cc(OCCOc2cc(C(=O)NNC(=O)c3ccccc3OCC(C)C)cc(C(=O)NNC(=O)c3ccccc3OCC(C)C)c2)cc(C(=O)NNC(=O)c2ccccc2OCC(C)C)c1
InChIInChI=1S/C62H70N8O14/c1-37(2)33-81-51-21-13-9-17-47(51)59(75)67-63-55(71)41-27-42(56(72)64-68-60(76)48-18-10-14-22-52(48)82-34-38(3)4)30-45(29-41)79-25-26-80-46-31-43(57(73)65-69-61(77)49-19-11-15-23-53(49)83-35-39(5)6)28-44(32-46)58(74)66-70-62(78)50-20-12-16-24-54(50)84-36-40(7)8/h9-24,27-32,37-40H,25-26,33-36H2,1-8H3,(H,63,71)(H,64,72)(H,65,73)(H,66,74)(H,67,75)(H,68,76)(H,69,77)(H,70,78)
InChIKeyLOVUDKYGLZEUAI-UHFFFAOYSA-N
MW1151.28 g/mol
LogP7.58
Rot. Bonds25

About 5-[2-[3,5-bis[[[2-(2-methylpropoxy)benzoyl]amino]carbamoyl]phenoxy]ethoxy]-1-N',3-N'-bis[2-(2-methylpropoxy)benzoyl]benzene-1,3-dicarbohydrazide

5-[2-[3,5-bis[[[2-(2-methylpropoxy)benzoyl]amino]carbamoyl]phenoxy]ethoxy]-1-N',3-N'-bis[2-(2-methylpropoxy)benzoyl]benzene-1,3-dicarbohydrazide (PubChem CID 102166261) has the molecular formula C62H70N8O14 and a molecular weight of 1151.28 g/mol. Its IUPAC name is 5-[2-[3,5-bis[[[2-(2-methylpropoxy)benzoyl]amino]carbamoyl]phenoxy]ethoxy]-1-N',3-N'-bis[2-(2-methylpropoxy)benzoyl]benzene-1,3-dicarbohydrazide.

Molecular Properties

Compound Name5-[2-[3,5-bis[[[2-(2-methylpropoxy)benzoyl]amino]carbamoyl]phenoxy]ethoxy]-1-N',3-N'-bis[2-(2-methylpropoxy)benzoyl]benzene-1,3-dicarbohydrazide
PubChem CID102166261
Molecular FormulaC62H70N8O14
Molecular Weight1151.28 g/mol
Exact Mass1150.50
IUPAC Name5-[2-[3,5-bis[[[2-(2-methylpropoxy)benzoyl]amino]carbamoyl]phenoxy]ethoxy]-1-N',3-N'-bis[2-(2-methylpropoxy)benzoyl]benzene-1,3-dicarbohydrazide
SMILESCC(C)COc1ccccc1C(=O)NNC(=O)c1cc(OCCOc2cc(C(=O)NNC(=O)c3ccccc3OCC(C)C)cc(C(=O)NNC(=O)c3ccccc3OCC(C)C)c2)cc(C(=O)NNC(=O)c2ccccc2OCC(C)C)c1
InChIInChI=1S/C62H70N8O14/c1-37(2)33-81-51-21-13-9-17-47(51)59(75)67-63-55(71)41-27-42(56(72)64-68-60(76)48-18-10-14-22-52(48)82-34-38(3)4)30-45(29-41)79-25-26-80-46-31-43(57(73)65-69-61(77)49-19-11-15-23-53(49)83-35-39(5)6)28-44(32-46)58(74)66-70-62(78)50-20-12-16-24-54(50)84-36-40(7)8/h9-24,27-32,37-40H,25-26,33-36H2,1-8H3,(H,63,71)(H,64,72)(H,65,73)(H,66,74)(H,67,75)(H,68,76)(H,69,77)(H,70,78)
InChIKeyLOVUDKYGLZEUAI-UHFFFAOYSA-N
XLogP7.58
TPSA288.18 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds25
Heavy Atoms84
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001151.28
LogP ≤ 57.58
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[2-[3,5-bis[[[2-(2-methylpropoxy)benzoyl]amino]carbamoyl]phenoxy]ethoxy]-1-N',3-N'-bis[2-(2-methylpropoxy)benzoyl]benzene-1,3-dicarbohydrazide with MolForge

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Related Compounds

2-(2-methylpropoxy)-N'-(4-phenylmethoxybenzoyl)benzohydrazide
CID 4945737
2,4-dichloro-N'-[2-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4945586
N'-[2-(4-methylphenoxy)acetyl]-2-(2-methylpropoxy)benzohydrazide
CID 4945628
N'-(3-ethoxypropanoyl)-2-(2-methylpropoxy)benzohydrazide
CID 17357941
N'-benzoyl-2-(3-methylbutoxy)benzohydrazide
CID 4944041
3-bromo-4-(2-methylpropoxy)-N'-(2-phenylmethoxybenzoyl)benzohydrazide
CID 17351934
2-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
CID 17096753
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-2-(2-methylpropoxy)benzohydrazide
CID 4945545
N'-[4-(3-methylbutoxy)benzoyl]-2-propan-2-yloxybenzohydrazide
CID 17045712
2-(2-methylpropoxy)-N-[[3-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17123705
2-methyl-N-[4-[[[2-(2-phenoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide
CID 4954512
2-chloro-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4930070

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3,5-bis[[[2-(2-methylpropoxy)benzoyl]amino]carbamoyl]phenoxy]ethoxy]-1-N',3-N'-bis[2-(2-methylpropoxy)benzoyl]benzene-1,3-dicarbohydrazide?
The IUPAC name of 5-[2-[3,5-bis[[[2-(2-methylpropoxy)benzoyl]amino]carbamoyl]phenoxy]ethoxy]-1-N',3-N'-bis[2-(2-methylpropoxy)benzoyl]benzene-1,3-dicarbohydrazide (CID 102166261) is 5-[2-[3,5-bis[[[2-(2-methylpropoxy)benzoyl]amino]carbamoyl]phenoxy]ethoxy]-1-N',3-N'-bis[2-(2-methylpropoxy)benzoyl]benzene-1,3-dicarbohydrazide.
What is the SMILES notation for 5-[2-[3,5-bis[[[2-(2-methylpropoxy)benzoyl]amino]carbamoyl]phenoxy]ethoxy]-1-N',3-N'-bis[2-(2-methylpropoxy)benzoyl]benzene-1,3-dicarbohydrazide?
The canonical SMILES for 5-[2-[3,5-bis[[[2-(2-methylpropoxy)benzoyl]amino]carbamoyl]phenoxy]ethoxy]-1-N',3-N'-bis[2-(2-methylpropoxy)benzoyl]benzene-1,3-dicarbohydrazide is CC(C)COc1ccccc1C(=O)NNC(=O)c1cc(OCCOc2cc(C(=O)NNC(=O)c3ccccc3OCC(C)C)cc(C(=O)NNC(=O)c3ccccc3OCC(C)C)c2)cc(C(=O)NNC(=O)c2ccccc2OCC(C)C)c1.
What is the InChIKey of 5-[2-[3,5-bis[[[2-(2-methylpropoxy)benzoyl]amino]carbamoyl]phenoxy]ethoxy]-1-N',3-N'-bis[2-(2-methylpropoxy)benzoyl]benzene-1,3-dicarbohydrazide?
The InChIKey is LOVUDKYGLZEUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H70N8O14/c1-37(2)33-81-51-21-13-9-17-47(51)59(75)67-63-55(71)41-27-42(56(72)64-68-60(76)48-18-10-14-22-52(48)82-34-38(3)4)30-45(29-41)79-25-26-80-46-31-43(57(73)65-69-61(77)49-19-11-15-23-53(49)83-35-39(5)6)28-44(32-46)58(74)66-70-62(78)50-20-12-16-24-54(50)84-36-40(7)8/h9-24,27-32,37-40H,25-26,33-36H2,1-8H3,(H,63,71)(H,64,72)(H,65,73)(H,66,74)(H,67,75)(H,68,76)(H,69,77)(H,70,78).
What are the key properties of 5-[2-[3,5-bis[[[2-(2-methylpropoxy)benzoyl]amino]carbamoyl]phenoxy]ethoxy]-1-N',3-N'-bis[2-(2-methylpropoxy)benzoyl]benzene-1,3-dicarbohydrazide?
5-[2-[3,5-bis[[[2-(2-methylpropoxy)benzoyl]amino]carbamoyl]phenoxy]ethoxy]-1-N',3-N'-bis[2-(2-methylpropoxy)benzoyl]benzene-1,3-dicarbohydrazide has a molecular weight of 1151.28 g/mol, XLogP of 7.58, 25 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3,5-bis[[[2-(2-methylpropoxy)benzoyl]amino]carbamoyl]phenoxy]ethoxy]-1-N',3-N'-bis[2-(2-methylpropoxy)benzoyl]benzene-1,3-dicarbohydrazide is sourced from PubChem (CID 102166261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).