N'-[5-[[3-[[(3,5-diheptyl-4-hydroxybenzoyl)amino]carbamoyl]-4-hydroxyphenyl]methyl]-2-hydroxybenzoyl]-3,5-diheptyl-4-hydroxybenzohydrazide

C57H80N4O8 — CID 101304325

IUPACN'-[5-[[3-[[(3,5-diheptyl-4-hydroxybenzoyl)amino]carbamoyl]-4-hydroxyphenyl]methyl]-2-hydroxybenzoyl]-3,5-diheptyl-4-hydroxybenzohydrazide
SMILESCCCCCCCc1cc(C(=O)NNC(=O)c2cc(Cc3ccc(O)c(C(=O)NNC(=O)c4cc(CCCCCCC)c(O)c(CCCCCCC)c4)c3)ccc2O)cc(CCCCCCC)c1O
InChIInChI=1S/C57H80N4O8/c1-5-9-13-17-21-25-42-36-46(37-43(52(42)64)26-22-18-14-10-6-2)54(66)58-60-56(68)48-34-40(29-31-50(48)62)33-41-30-32-51(63)49(35-41)57(69)61-59-55(67)47-38-44(27-23-19-15-11-7-3)53(65)45(39-47)28-24-20-16-12-8-4/h29-32,34-39,62-65H,5-28,33H2,1-4H3,(H,58,66)(H,59,67)(H,60,68)(H,61,69)
InChIKeyCPWKFHBEBNDTRI-UHFFFAOYSA-N
MW949.29 g/mol
LogP12.30
Rot. Bonds30

About N'-[5-[[3-[[(3,5-diheptyl-4-hydroxybenzoyl)amino]carbamoyl]-4-hydroxyphenyl]methyl]-2-hydroxybenzoyl]-3,5-diheptyl-4-hydroxybenzohydrazide

N'-[5-[[3-[[(3,5-diheptyl-4-hydroxybenzoyl)amino]carbamoyl]-4-hydroxyphenyl]methyl]-2-hydroxybenzoyl]-3,5-diheptyl-4-hydroxybenzohydrazide (PubChem CID 101304325) has the molecular formula C57H80N4O8 and a molecular weight of 949.29 g/mol. Its IUPAC name is N'-[5-[[3-[[(3,5-diheptyl-4-hydroxybenzoyl)amino]carbamoyl]-4-hydroxyphenyl]methyl]-2-hydroxybenzoyl]-3,5-diheptyl-4-hydroxybenzohydrazide.

Molecular Properties

Compound NameN'-[5-[[3-[[(3,5-diheptyl-4-hydroxybenzoyl)amino]carbamoyl]-4-hydroxyphenyl]methyl]-2-hydroxybenzoyl]-3,5-diheptyl-4-hydroxybenzohydrazide
PubChem CID101304325
Molecular FormulaC57H80N4O8
Molecular Weight949.29 g/mol
Exact Mass948.60
IUPAC NameN'-[5-[[3-[[(3,5-diheptyl-4-hydroxybenzoyl)amino]carbamoyl]-4-hydroxyphenyl]methyl]-2-hydroxybenzoyl]-3,5-diheptyl-4-hydroxybenzohydrazide
SMILESCCCCCCCc1cc(C(=O)NNC(=O)c2cc(Cc3ccc(O)c(C(=O)NNC(=O)c4cc(CCCCCCC)c(O)c(CCCCCCC)c4)c3)ccc2O)cc(CCCCCCC)c1O
InChIInChI=1S/C57H80N4O8/c1-5-9-13-17-21-25-42-36-46(37-43(52(42)64)26-22-18-14-10-6-2)54(66)58-60-56(68)48-34-40(29-31-50(48)62)33-41-30-32-51(63)49(35-41)57(69)61-59-55(67)47-38-44(27-23-19-15-11-7-3)53(65)45(39-47)28-24-20-16-12-8-4/h29-32,34-39,62-65H,5-28,33H2,1-4H3,(H,58,66)(H,59,67)(H,60,68)(H,61,69)
InChIKeyCPWKFHBEBNDTRI-UHFFFAOYSA-N
XLogP12.30
TPSA197.32 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds30
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500949.29
LogP ≤ 512.30
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N'-[5-[[3-[[(3,5-diheptyl-4-hydroxybenzoyl)amino]carbamoyl]-4-hydroxyphenyl]methyl]-2-hydroxybenzoyl]-3,5-diheptyl-4-hydroxybenzohydrazide with MolForge

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Related Compounds

N'-(4-butylbenzoyl)-5-[[3-[[(4-butylbenzoyl)amino]carbamoyl]-4-hydroxyphenyl]methyl]-2-hydroxybenzohydrazide
CID 101304313
1-N',3-N'-bis(2-hydroxy-5-pentylbenzoyl)-2-nonylpropanedihydrazide
CID 101307001
2-butyl-1-N',5-N'-bis(2-hydroxy-5-octylbenzoyl)-4-propylpentanedihydrazide
CID 101307449
2-butyl-5-ethyl-1-N',6-N'-bis(5-heptyl-2-hydroxybenzoyl)hexanedihydrazide
CID 101307317
5-heptyl-N-[2-[(5-heptyl-2-hydroxybenzoyl)amino]phenyl]-2-hydroxybenzamide
CID 101305952
1-(2-hydroxy-5-nonylphenyl)ethanone
CID 10869095
1-N',7-N'-bis(5-heptyl-2-hydroxybenzoyl)-2-pentylheptanedihydrazide
CID 101307249
1-N',6-N'-bis(5-hexyl-2-hydroxybenzoyl)-2-methyl-5-pentylhexanedihydrazide
CID 101307169
methyl 5-dodecyl-2-hydroxybenzoate
CID 11834197
methyl 5-hexyl-2-hydroxybenzoate
CID 13329493
2-ethyl-1-N',9-N'-bis(2-hydroxy-5-octylbenzoyl)-8-methylnonanedihydrazide
CID 101307409
2-hydroxy-5-pentyl-N-phenylbenzamide
CID 69463997

Frequently Asked Questions

What is the IUPAC name of N'-[5-[[3-[[(3,5-diheptyl-4-hydroxybenzoyl)amino]carbamoyl]-4-hydroxyphenyl]methyl]-2-hydroxybenzoyl]-3,5-diheptyl-4-hydroxybenzohydrazide?
The IUPAC name of N'-[5-[[3-[[(3,5-diheptyl-4-hydroxybenzoyl)amino]carbamoyl]-4-hydroxyphenyl]methyl]-2-hydroxybenzoyl]-3,5-diheptyl-4-hydroxybenzohydrazide (CID 101304325) is N'-[5-[[3-[[(3,5-diheptyl-4-hydroxybenzoyl)amino]carbamoyl]-4-hydroxyphenyl]methyl]-2-hydroxybenzoyl]-3,5-diheptyl-4-hydroxybenzohydrazide.
What is the SMILES notation for N'-[5-[[3-[[(3,5-diheptyl-4-hydroxybenzoyl)amino]carbamoyl]-4-hydroxyphenyl]methyl]-2-hydroxybenzoyl]-3,5-diheptyl-4-hydroxybenzohydrazide?
The canonical SMILES for N'-[5-[[3-[[(3,5-diheptyl-4-hydroxybenzoyl)amino]carbamoyl]-4-hydroxyphenyl]methyl]-2-hydroxybenzoyl]-3,5-diheptyl-4-hydroxybenzohydrazide is CCCCCCCc1cc(C(=O)NNC(=O)c2cc(Cc3ccc(O)c(C(=O)NNC(=O)c4cc(CCCCCCC)c(O)c(CCCCCCC)c4)c3)ccc2O)cc(CCCCCCC)c1O.
What is the InChIKey of N'-[5-[[3-[[(3,5-diheptyl-4-hydroxybenzoyl)amino]carbamoyl]-4-hydroxyphenyl]methyl]-2-hydroxybenzoyl]-3,5-diheptyl-4-hydroxybenzohydrazide?
The InChIKey is CPWKFHBEBNDTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H80N4O8/c1-5-9-13-17-21-25-42-36-46(37-43(52(42)64)26-22-18-14-10-6-2)54(66)58-60-56(68)48-34-40(29-31-50(48)62)33-41-30-32-51(63)49(35-41)57(69)61-59-55(67)47-38-44(27-23-19-15-11-7-3)53(65)45(39-47)28-24-20-16-12-8-4/h29-32,34-39,62-65H,5-28,33H2,1-4H3,(H,58,66)(H,59,67)(H,60,68)(H,61,69).
What are the key properties of N'-[5-[[3-[[(3,5-diheptyl-4-hydroxybenzoyl)amino]carbamoyl]-4-hydroxyphenyl]methyl]-2-hydroxybenzoyl]-3,5-diheptyl-4-hydroxybenzohydrazide?
N'-[5-[[3-[[(3,5-diheptyl-4-hydroxybenzoyl)amino]carbamoyl]-4-hydroxyphenyl]methyl]-2-hydroxybenzoyl]-3,5-diheptyl-4-hydroxybenzohydrazide has a molecular weight of 949.29 g/mol, XLogP of 12.30, 30 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-[[3-[[(3,5-diheptyl-4-hydroxybenzoyl)amino]carbamoyl]-4-hydroxyphenyl]methyl]-2-hydroxybenzoyl]-3,5-diheptyl-4-hydroxybenzohydrazide is sourced from PubChem (CID 101304325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).