N'-[2-(2-bromo-4-methylphenoxy)propanoyl]-3-methoxy-4-propoxybenzohydrazide

C21H25BrN2O5 — CID 46491239

IUPACN'-[2-(2-bromo-4-methylphenoxy)propanoyl]-3-methoxy-4-propoxybenzohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)C(C)Oc2ccc(C)cc2Br)cc1OC
InChIInChI=1S/C21H25BrN2O5/c1-5-10-28-18-9-7-15(12-19(18)27-4)21(26)24-23-20(25)14(3)29-17-8-6-13(2)11-16(17)22/h6-9,11-12,14H,5,10H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyLAPDIEUATXNXOG-UHFFFAOYSA-N
MW465.34 g/mol
LogP3.78
Rot. Bonds8

About N'-[2-(2-bromo-4-methylphenoxy)propanoyl]-3-methoxy-4-propoxybenzohydrazide

N'-[2-(2-bromo-4-methylphenoxy)propanoyl]-3-methoxy-4-propoxybenzohydrazide (PubChem CID 46491239) has the molecular formula C21H25BrN2O5 and a molecular weight of 465.34 g/mol. Its IUPAC name is N'-[2-(2-bromo-4-methylphenoxy)propanoyl]-3-methoxy-4-propoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-bromo-4-methylphenoxy)propanoyl]-3-methoxy-4-propoxybenzohydrazide
PubChem CID46491239
Molecular FormulaC21H25BrN2O5
Molecular Weight465.34 g/mol
Exact Mass464.09
IUPAC NameN'-[2-(2-bromo-4-methylphenoxy)propanoyl]-3-methoxy-4-propoxybenzohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)C(C)Oc2ccc(C)cc2Br)cc1OC
InChIInChI=1S/C21H25BrN2O5/c1-5-10-28-18-9-7-15(12-19(18)27-4)21(26)24-23-20(25)14(3)29-17-8-6-13(2)11-16(17)22/h6-9,11-12,14H,5,10H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyLAPDIEUATXNXOG-UHFFFAOYSA-N
XLogP3.78
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.34
LogP ≤ 53.78
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

tert-butyl N-[1-[2-(3-methoxy-4-propoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]carbamate
CID 55561389
N'-[2-(4-bromophenoxy)propanoyl]-4-ethoxy-3-methoxybenzohydrazide
CID 42910218
3-bromo-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-propoxybenzohydrazide
CID 17342893
(2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide
CID 8643879
4-bromo-N'-(3-methoxy-4-propoxybenzoyl)-5-propan-2-yl-1H-pyrazole-3-carbohydrazide
CID 56562247
3-bromo-N-[[(3-bromo-4-methoxybenzoyl)amino]carbamothioyl]-4-propoxybenzamide
CID 17343187
N-(3,5-dimethylphenyl)-3-methoxy-4-propoxybenzamide
CID 2683270
N-(2,4-dimethylphenyl)-3-methoxy-4-propoxybenzamide
CID 2600021
(2R)-2-(2-bromo-4-methylphenoxy)-N-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 51958225
N'-[(2S)-2-(2-bromo-4-methylphenoxy)propanoyl]pyridine-2-carbohydrazide
CID 51958934
N'-(4-butoxy-3-methoxybenzoyl)-2-hydroxy-4-methylbenzohydrazide
CID 31715670
4-bromo-N'-(3-methoxy-4-propoxybenzoyl)-1H-pyrrole-2-carbohydrazide
CID 51217733

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromo-4-methylphenoxy)propanoyl]-3-methoxy-4-propoxybenzohydrazide?
The IUPAC name of N'-[2-(2-bromo-4-methylphenoxy)propanoyl]-3-methoxy-4-propoxybenzohydrazide (CID 46491239) is N'-[2-(2-bromo-4-methylphenoxy)propanoyl]-3-methoxy-4-propoxybenzohydrazide.
What is the SMILES notation for N'-[2-(2-bromo-4-methylphenoxy)propanoyl]-3-methoxy-4-propoxybenzohydrazide?
The canonical SMILES for N'-[2-(2-bromo-4-methylphenoxy)propanoyl]-3-methoxy-4-propoxybenzohydrazide is CCCOc1ccc(C(=O)NNC(=O)C(C)Oc2ccc(C)cc2Br)cc1OC.
What is the InChIKey of N'-[2-(2-bromo-4-methylphenoxy)propanoyl]-3-methoxy-4-propoxybenzohydrazide?
The InChIKey is LAPDIEUATXNXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O5/c1-5-10-28-18-9-7-15(12-19(18)27-4)21(26)24-23-20(25)14(3)29-17-8-6-13(2)11-16(17)22/h6-9,11-12,14H,5,10H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(2-bromo-4-methylphenoxy)propanoyl]-3-methoxy-4-propoxybenzohydrazide?
N'-[2-(2-bromo-4-methylphenoxy)propanoyl]-3-methoxy-4-propoxybenzohydrazide has a molecular weight of 465.34 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-bromo-4-methylphenoxy)propanoyl]-3-methoxy-4-propoxybenzohydrazide is sourced from PubChem (CID 46491239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).