N'-(cyclopropanecarbonyl)-3,4,5-trimethoxybenzohydrazide

C14H18N2O5 — CID 916392

IUPACN'-(cyclopropanecarbonyl)-3,4,5-trimethoxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)C2CC2)cc(OC)c1OC
InChIInChI=1S/C14H18N2O5/c1-19-10-6-9(7-11(20-2)12(10)21-3)14(18)16-15-13(17)8-4-5-8/h6-8H,4-5H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyXEZPSBVJUCYUSN-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.88
Rot. Bonds5

About N'-(cyclopropanecarbonyl)-3,4,5-trimethoxybenzohydrazide

N'-(cyclopropanecarbonyl)-3,4,5-trimethoxybenzohydrazide (PubChem CID 916392) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is N'-(cyclopropanecarbonyl)-3,4,5-trimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(cyclopropanecarbonyl)-3,4,5-trimethoxybenzohydrazide
PubChem CID916392
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC NameN'-(cyclopropanecarbonyl)-3,4,5-trimethoxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)C2CC2)cc(OC)c1OC
InChIInChI=1S/C14H18N2O5/c1-19-10-6-9(7-11(20-2)12(10)21-3)14(18)16-15-13(17)8-4-5-8/h6-8H,4-5H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyXEZPSBVJUCYUSN-UHFFFAOYSA-N
XLogP0.88
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-Trimethoxybenzamide
CID 18334
4-Hydroxy-3,5-dimethoxybenzamide
CID 76522
Decimemide
CID 26929
3,4,5-Trimethoxybenzohydrazide
CID 76793
N'-[2-(3,4-dimethoxyphenyl)acetyl]benzohydrazide
CID 2083285
3,5-Dimethoxybenzohydrazide
CID 352312
4-Hydroxy-3-methoxybenzohydrazide
CID 468601
3,4-Dimethoxybenzohydrazide
CID 1530859
N'-[3-(2-furyl)acryloyl]-3,4,5-trimethoxybenzohydrazide
CID 695831
N'-(3,5-Dimethoxybenzoyl)-3-phenylpropanehydrazide
CID 846324
N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 2476387
N'-(cyclopentanecarbonyl)-3,5-dimethoxybenzohydrazide
CID 5134175

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropanecarbonyl)-3,4,5-trimethoxybenzohydrazide?
The IUPAC name of N'-(cyclopropanecarbonyl)-3,4,5-trimethoxybenzohydrazide (CID 916392) is N'-(cyclopropanecarbonyl)-3,4,5-trimethoxybenzohydrazide.
What is the SMILES notation for N'-(cyclopropanecarbonyl)-3,4,5-trimethoxybenzohydrazide?
The canonical SMILES for N'-(cyclopropanecarbonyl)-3,4,5-trimethoxybenzohydrazide is COc1cc(C(=O)NNC(=O)C2CC2)cc(OC)c1OC.
What is the InChIKey of N'-(cyclopropanecarbonyl)-3,4,5-trimethoxybenzohydrazide?
The InChIKey is XEZPSBVJUCYUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-19-10-6-9(7-11(20-2)12(10)21-3)14(18)16-15-13(17)8-4-5-8/h6-8H,4-5H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of N'-(cyclopropanecarbonyl)-3,4,5-trimethoxybenzohydrazide?
N'-(cyclopropanecarbonyl)-3,4,5-trimethoxybenzohydrazide has a molecular weight of 294.31 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropanecarbonyl)-3,4,5-trimethoxybenzohydrazide is sourced from PubChem (CID 916392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).