3-methoxy-4-(3-methylbutoxy)-N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]benzohydrazide

C24H30N4O5 — CID 24624494

IUPAC3-methoxy-4-(3-methylbutoxy)-N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)CCn2c(=O)n(C)c3ccccc32)ccc1OCCC(C)C
InChIInChI=1S/C24H30N4O5/c1-16(2)12-14-33-20-10-9-17(15-21(20)32-4)23(30)26-25-22(29)11-13-28-19-8-6-5-7-18(19)27(3)24(28)31/h5-10,15-16H,11-14H2,1-4H3,(H,25,29)(H,26,30)
InChIKeyDZVAFGUVSTVSLC-UHFFFAOYSA-N
MW454.53 g/mol
LogP2.62
Rot. Bonds9

About 3-methoxy-4-(3-methylbutoxy)-N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]benzohydrazide

3-methoxy-4-(3-methylbutoxy)-N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]benzohydrazide (PubChem CID 24624494) has the molecular formula C24H30N4O5 and a molecular weight of 454.53 g/mol. Its IUPAC name is 3-methoxy-4-(3-methylbutoxy)-N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]benzohydrazide.

Molecular Properties

Compound Name3-methoxy-4-(3-methylbutoxy)-N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]benzohydrazide
PubChem CID24624494
Molecular FormulaC24H30N4O5
Molecular Weight454.53 g/mol
Exact Mass454.22
IUPAC Name3-methoxy-4-(3-methylbutoxy)-N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)CCn2c(=O)n(C)c3ccccc32)ccc1OCCC(C)C
InChIInChI=1S/C24H30N4O5/c1-16(2)12-14-33-20-10-9-17(15-21(20)32-4)23(30)26-25-22(29)11-13-28-19-8-6-5-7-18(19)27(3)24(28)31/h5-10,15-16H,11-14H2,1-4H3,(H,25,29)(H,26,30)
InChIKeyDZVAFGUVSTVSLC-UHFFFAOYSA-N
XLogP2.62
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-4-(3-methylbutoxy)-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]benzohydrazide
CID 24609588
N'-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide
CID 34559924
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-1-methyl-2-oxoquinoline-4-carbohydrazide
CID 55789038
3-methoxy-N'-(2-methoxybenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 25486360
4-tert-butyl-N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]benzohydrazide
CID 24634971
3-methoxy-4-(3-methylbutoxy)-N'-(3-thiophen-2-ylpropanoyl)benzohydrazide
CID 24553723
N'-[3-(3,4-difluorophenyl)propanoyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide
CID 46547389
N-(4-hydroxyphenyl)-3-methoxy-4-(3-methylbutoxy)benzamide
CID 51186820
N'-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-3-methoxy-4-(3-methylbutoxy)benzohydrazide
CID 36758356
N-[3-[2-[3-methoxy-4-(3-methylbutoxy)benzoyl]hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 34558984
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]oxolane-2-carbohydrazide
CID 43006948
N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-2H-benzotriazole-5-carbohydrazide
CID 24535877

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(3-methylbutoxy)-N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]benzohydrazide?
The IUPAC name of 3-methoxy-4-(3-methylbutoxy)-N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]benzohydrazide (CID 24624494) is 3-methoxy-4-(3-methylbutoxy)-N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]benzohydrazide.
What is the SMILES notation for 3-methoxy-4-(3-methylbutoxy)-N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]benzohydrazide?
The canonical SMILES for 3-methoxy-4-(3-methylbutoxy)-N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]benzohydrazide is COc1cc(C(=O)NNC(=O)CCn2c(=O)n(C)c3ccccc32)ccc1OCCC(C)C.
What is the InChIKey of 3-methoxy-4-(3-methylbutoxy)-N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]benzohydrazide?
The InChIKey is DZVAFGUVSTVSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5/c1-16(2)12-14-33-20-10-9-17(15-21(20)32-4)23(30)26-25-22(29)11-13-28-19-8-6-5-7-18(19)27(3)24(28)31/h5-10,15-16H,11-14H2,1-4H3,(H,25,29)(H,26,30).
What are the key properties of 3-methoxy-4-(3-methylbutoxy)-N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]benzohydrazide?
3-methoxy-4-(3-methylbutoxy)-N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]benzohydrazide has a molecular weight of 454.53 g/mol, XLogP of 2.62, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(3-methylbutoxy)-N'-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]benzohydrazide is sourced from PubChem (CID 24624494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).