N'-(1-cyanocyclopropanecarbonyl)-4-methoxy-3-undecylbenzohydrazide

C24H35N3O3 — CID 118255261

IUPACN'-(1-cyanocyclopropanecarbonyl)-4-methoxy-3-undecylbenzohydrazide
SMILESCCCCCCCCCCCc1cc(C(=O)NNC(=O)C2(C#N)CC2)ccc1OC
InChIInChI=1S/C24H35N3O3/c1-3-4-5-6-7-8-9-10-11-12-19-17-20(13-14-21(19)30-2)22(28)26-27-23(29)24(18-25)15-16-24/h13-14,17H,3-12,15-16H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyQODGITWEJXLTKP-UHFFFAOYSA-N
MW413.56 g/mol
LogP4.83
Rot. Bonds13

About N'-(1-cyanocyclopropanecarbonyl)-4-methoxy-3-undecylbenzohydrazide

N'-(1-cyanocyclopropanecarbonyl)-4-methoxy-3-undecylbenzohydrazide (PubChem CID 118255261) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is N'-(1-cyanocyclopropanecarbonyl)-4-methoxy-3-undecylbenzohydrazide.

Molecular Properties

Compound NameN'-(1-cyanocyclopropanecarbonyl)-4-methoxy-3-undecylbenzohydrazide
PubChem CID118255261
Molecular FormulaC24H35N3O3
Molecular Weight413.56 g/mol
Exact Mass413.27
IUPAC NameN'-(1-cyanocyclopropanecarbonyl)-4-methoxy-3-undecylbenzohydrazide
SMILESCCCCCCCCCCCc1cc(C(=O)NNC(=O)C2(C#N)CC2)ccc1OC
InChIInChI=1S/C24H35N3O3/c1-3-4-5-6-7-8-9-10-11-12-19-17-20(13-14-21(19)30-2)22(28)26-27-23(29)24(18-25)15-16-24/h13-14,17H,3-12,15-16H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyQODGITWEJXLTKP-UHFFFAOYSA-N
XLogP4.83
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-[2-(1-cyanocyclopropyl)-2-oxoethyl]-4-dodecylbenzamide
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1-cyano-N-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
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N'-hexanoyl-3-iodo-4-methoxybenzohydrazide
CID 4953926
2-[1-(4-methoxy-3-pentylphenyl)ethylidene]-1,3-dithiane
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N-cyclopropyl-3-ethyl-4-methoxybenzamide
CID 110761892
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
1-[3-(butoxymethyl)-4-methoxyphenyl]ethanone
CID 43789546
2-(5-acetyl-2-methoxyphenyl)-N-pentylacetamide
CID 78791662
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CID 51246302

Frequently Asked Questions

What is the IUPAC name of N'-(1-cyanocyclopropanecarbonyl)-4-methoxy-3-undecylbenzohydrazide?
The IUPAC name of N'-(1-cyanocyclopropanecarbonyl)-4-methoxy-3-undecylbenzohydrazide (CID 118255261) is N'-(1-cyanocyclopropanecarbonyl)-4-methoxy-3-undecylbenzohydrazide.
What is the SMILES notation for N'-(1-cyanocyclopropanecarbonyl)-4-methoxy-3-undecylbenzohydrazide?
The canonical SMILES for N'-(1-cyanocyclopropanecarbonyl)-4-methoxy-3-undecylbenzohydrazide is CCCCCCCCCCCc1cc(C(=O)NNC(=O)C2(C#N)CC2)ccc1OC.
What is the InChIKey of N'-(1-cyanocyclopropanecarbonyl)-4-methoxy-3-undecylbenzohydrazide?
The InChIKey is QODGITWEJXLTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3/c1-3-4-5-6-7-8-9-10-11-12-19-17-20(13-14-21(19)30-2)22(28)26-27-23(29)24(18-25)15-16-24/h13-14,17H,3-12,15-16H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N'-(1-cyanocyclopropanecarbonyl)-4-methoxy-3-undecylbenzohydrazide?
N'-(1-cyanocyclopropanecarbonyl)-4-methoxy-3-undecylbenzohydrazide has a molecular weight of 413.56 g/mol, XLogP of 4.83, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-cyanocyclopropanecarbonyl)-4-methoxy-3-undecylbenzohydrazide is sourced from PubChem (CID 118255261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).