1-N',9-N'-bis(3,4,5-trimethoxybenzoyl)nonanedihydrazide

C29H40N4O10 — CID 3801032

IUPAC1-N',9-N'-bis(3,4,5-trimethoxybenzoyl)nonanedihydrazide
SMILESCOc1cc(C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIInChI=1S/C29H40N4O10/c1-38-20-14-18(15-21(39-2)26(20)42-5)28(36)32-30-24(34)12-10-8-7-9-11-13-25(35)31-33-29(37)19-16-22(40-3)27(43-6)23(17-19)41-4/h14-17H,7-13H2,1-6H3,(H,30,34)(H,31,35)(H,32,36)(H,33,37)
InChIKeyARBSLXZFFDJTKI-UHFFFAOYSA-N
MW604.66 g/mol
LogP2.69
Rot. Bonds16

About 1-N',9-N'-bis(3,4,5-trimethoxybenzoyl)nonanedihydrazide

1-N',9-N'-bis(3,4,5-trimethoxybenzoyl)nonanedihydrazide (PubChem CID 3801032) has the molecular formula C29H40N4O10 and a molecular weight of 604.66 g/mol. Its IUPAC name is 1-N',9-N'-bis(3,4,5-trimethoxybenzoyl)nonanedihydrazide.

Molecular Properties

Compound Name1-N',9-N'-bis(3,4,5-trimethoxybenzoyl)nonanedihydrazide
PubChem CID3801032
Molecular FormulaC29H40N4O10
Molecular Weight604.66 g/mol
Exact Mass604.27
IUPAC Name1-N',9-N'-bis(3,4,5-trimethoxybenzoyl)nonanedihydrazide
SMILESCOc1cc(C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
InChIInChI=1S/C29H40N4O10/c1-38-20-14-18(15-21(39-2)26(20)42-5)28(36)32-30-24(34)12-10-8-7-9-11-13-25(35)31-33-29(37)19-16-22(40-3)27(43-6)23(17-19)41-4/h14-17H,7-13H2,1-6H3,(H,30,34)(H,31,35)(H,32,36)(H,33,37)
InChIKeyARBSLXZFFDJTKI-UHFFFAOYSA-N
XLogP2.69
TPSA171.78 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500604.66
LogP ≤ 52.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-trimethoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
CID 9399555
N'-(3-cyclopentylpropanoyl)-3,4,5-trimethoxybenzohydrazide
CID 4043294
3,4,5-trimethoxy-N'-(3-phenoxypropanoyl)benzohydrazide
CID 2117105
N'-acetyl-3,4,5-trimethoxybenzohydrazide
CID 913637
3,4,5-trimethoxy-N'-(3-piperidin-1-ium-1-ylpropanoyl)benzohydrazide
CID 7448564
1-N',9-N'-bis(3-bromo-4-methoxybenzoyl)nonanedihydrazide
CID 5241473
N,N-dimethyl-2-[2-oxo-2-[2-(3,4,5-trimethoxybenzoyl)hydrazinyl]ethoxy]acetamide
CID 3971396
N'-[2-(3,4-dimethylphenyl)acetyl]-3,4,5-trimethoxybenzohydrazide
CID 4808541
6-[(3,4,5-trimethoxybenzoyl)amino]hexanoic acid
CID 30627
8-[(3,4,5-trimethoxybenzoyl)amino]octanoic acid
CID 22040273
1-N',9-N'-bis(4-methoxybenzoyl)nonanedihydrazide
CID 3123941
N,N-diethyl-3,3-dimethyl-5-oxo-5-[2-(3,4,5-trimethoxybenzoyl)hydrazinyl]pentanamide
CID 3955560

Frequently Asked Questions

What is the IUPAC name of 1-N',9-N'-bis(3,4,5-trimethoxybenzoyl)nonanedihydrazide?
The IUPAC name of 1-N',9-N'-bis(3,4,5-trimethoxybenzoyl)nonanedihydrazide (CID 3801032) is 1-N',9-N'-bis(3,4,5-trimethoxybenzoyl)nonanedihydrazide.
What is the SMILES notation for 1-N',9-N'-bis(3,4,5-trimethoxybenzoyl)nonanedihydrazide?
The canonical SMILES for 1-N',9-N'-bis(3,4,5-trimethoxybenzoyl)nonanedihydrazide is COc1cc(C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC.
What is the InChIKey of 1-N',9-N'-bis(3,4,5-trimethoxybenzoyl)nonanedihydrazide?
The InChIKey is ARBSLXZFFDJTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N4O10/c1-38-20-14-18(15-21(39-2)26(20)42-5)28(36)32-30-24(34)12-10-8-7-9-11-13-25(35)31-33-29(37)19-16-22(40-3)27(43-6)23(17-19)41-4/h14-17H,7-13H2,1-6H3,(H,30,34)(H,31,35)(H,32,36)(H,33,37).
What are the key properties of 1-N',9-N'-bis(3,4,5-trimethoxybenzoyl)nonanedihydrazide?
1-N',9-N'-bis(3,4,5-trimethoxybenzoyl)nonanedihydrazide has a molecular weight of 604.66 g/mol, XLogP of 2.69, 16 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',9-N'-bis(3,4,5-trimethoxybenzoyl)nonanedihydrazide is sourced from PubChem (CID 3801032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).