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

C37H40N4O6 — CID 101304313

IUPACN'-(4-butylbenzoyl)-5-[[3-[[(4-butylbenzoyl)amino]carbamoyl]-4-hydroxyphenyl]methyl]-2-hydroxybenzohydrazide
SMILESCCCCc1ccc(C(=O)NNC(=O)c2cc(Cc3ccc(O)c(C(=O)NNC(=O)c4ccc(CCCC)cc4)c3)ccc2O)cc1
InChIInChI=1S/C37H40N4O6/c1-3-5-7-24-9-15-28(16-10-24)34(44)38-40-36(46)30-22-26(13-19-32(30)42)21-27-14-20-33(43)31(23-27)37(47)41-39-35(45)29-17-11-25(12-18-29)8-6-4-2/h9-20,22-23,42-43H,3-8,21H2,1-2H3,(H,38,44)(H,39,45)(H,40,46)(H,41,47)
InChIKeyRPPQMQQCLJIZEG-UHFFFAOYSA-N
MW636.75 g/mol
LogP5.52
Rot. Bonds12

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

N'-(4-butylbenzoyl)-5-[[3-[[(4-butylbenzoyl)amino]carbamoyl]-4-hydroxyphenyl]methyl]-2-hydroxybenzohydrazide (PubChem CID 101304313) has the molecular formula C37H40N4O6 and a molecular weight of 636.75 g/mol. Its IUPAC name is N'-(4-butylbenzoyl)-5-[[3-[[(4-butylbenzoyl)amino]carbamoyl]-4-hydroxyphenyl]methyl]-2-hydroxybenzohydrazide.

Molecular Properties

Compound NameN'-(4-butylbenzoyl)-5-[[3-[[(4-butylbenzoyl)amino]carbamoyl]-4-hydroxyphenyl]methyl]-2-hydroxybenzohydrazide
PubChem CID101304313
Molecular FormulaC37H40N4O6
Molecular Weight636.75 g/mol
Exact Mass636.29
IUPAC NameN'-(4-butylbenzoyl)-5-[[3-[[(4-butylbenzoyl)amino]carbamoyl]-4-hydroxyphenyl]methyl]-2-hydroxybenzohydrazide
SMILESCCCCc1ccc(C(=O)NNC(=O)c2cc(Cc3ccc(O)c(C(=O)NNC(=O)c4ccc(CCCC)cc4)c3)ccc2O)cc1
InChIInChI=1S/C37H40N4O6/c1-3-5-7-24-9-15-28(16-10-24)34(44)38-40-36(46)30-22-26(13-19-32(30)42)21-27-14-20-33(43)31(23-27)37(47)41-39-35(45)29-17-11-25(12-18-29)8-6-4-2/h9-20,22-23,42-43H,3-8,21H2,1-2H3,(H,38,44)(H,39,45)(H,40,46)(H,41,47)
InChIKeyRPPQMQQCLJIZEG-UHFFFAOYSA-N
XLogP5.52
TPSA156.86 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500636.75
LogP ≤ 55.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-[[3-[[(3,5-diheptyl-4-hydroxybenzoyl)amino]carbamoyl]-4-hydroxyphenyl]methyl]-2-hydroxybenzoyl]-3,5-diheptyl-4-hydroxybenzohydrazide
CID 101304325
5-butyl-N'-[3-[3-[2-(5-butyl-2-hydroxybenzoyl)hydrazinyl]-3-oxopropyl]sulfanylpropanoyl]-2-hydroxybenzohydrazide
CID 101311019
4-butyl-N'-(4-phenylbenzoyl)benzohydrazide
CID 4296967
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
N'-(4-butylbenzoyl)-1H-pyrrole-2-carbohydrazide
CID 8968206
5-ethyl-2-hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide
CID 60611924
N'-dodecanoyl-4-heptylbenzohydrazide
CID 3103832
[(4-pentylbenzoyl)amino]thiourea
CID 2743438
1-[(4-butylbenzoyl)amino]-3-(2-fluorophenyl)thiourea
CID 9085190
5-chloro-N'-[4-(ethylsulfanylmethyl)benzoyl]-2-hydroxybenzohydrazide
CID 55902498

Frequently Asked Questions

What is the IUPAC name of N'-(4-butylbenzoyl)-5-[[3-[[(4-butylbenzoyl)amino]carbamoyl]-4-hydroxyphenyl]methyl]-2-hydroxybenzohydrazide?
The IUPAC name of N'-(4-butylbenzoyl)-5-[[3-[[(4-butylbenzoyl)amino]carbamoyl]-4-hydroxyphenyl]methyl]-2-hydroxybenzohydrazide (CID 101304313) is N'-(4-butylbenzoyl)-5-[[3-[[(4-butylbenzoyl)amino]carbamoyl]-4-hydroxyphenyl]methyl]-2-hydroxybenzohydrazide.
What is the SMILES notation for N'-(4-butylbenzoyl)-5-[[3-[[(4-butylbenzoyl)amino]carbamoyl]-4-hydroxyphenyl]methyl]-2-hydroxybenzohydrazide?
The canonical SMILES for N'-(4-butylbenzoyl)-5-[[3-[[(4-butylbenzoyl)amino]carbamoyl]-4-hydroxyphenyl]methyl]-2-hydroxybenzohydrazide is CCCCc1ccc(C(=O)NNC(=O)c2cc(Cc3ccc(O)c(C(=O)NNC(=O)c4ccc(CCCC)cc4)c3)ccc2O)cc1.
What is the InChIKey of N'-(4-butylbenzoyl)-5-[[3-[[(4-butylbenzoyl)amino]carbamoyl]-4-hydroxyphenyl]methyl]-2-hydroxybenzohydrazide?
The InChIKey is RPPQMQQCLJIZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H40N4O6/c1-3-5-7-24-9-15-28(16-10-24)34(44)38-40-36(46)30-22-26(13-19-32(30)42)21-27-14-20-33(43)31(23-27)37(47)41-39-35(45)29-17-11-25(12-18-29)8-6-4-2/h9-20,22-23,42-43H,3-8,21H2,1-2H3,(H,38,44)(H,39,45)(H,40,46)(H,41,47).
What are the key properties of N'-(4-butylbenzoyl)-5-[[3-[[(4-butylbenzoyl)amino]carbamoyl]-4-hydroxyphenyl]methyl]-2-hydroxybenzohydrazide?
N'-(4-butylbenzoyl)-5-[[3-[[(4-butylbenzoyl)amino]carbamoyl]-4-hydroxyphenyl]methyl]-2-hydroxybenzohydrazide has a molecular weight of 636.75 g/mol, XLogP of 5.52, 12 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-butylbenzoyl)-5-[[3-[[(4-butylbenzoyl)amino]carbamoyl]-4-hydroxyphenyl]methyl]-2-hydroxybenzohydrazide is sourced from PubChem (CID 101304313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).