N'-[2-(2-butan-2-ylphenoxy)butanoyl]-2-phenylmethoxybenzohydrazide

C28H32N2O4 — CID 17150849

IUPACN'-[2-(2-butan-2-ylphenoxy)butanoyl]-2-phenylmethoxybenzohydrazide
SMILESCCC(Oc1ccccc1C(C)CC)C(=O)NNC(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C28H32N2O4/c1-4-20(3)22-15-9-12-18-26(22)34-24(5-2)28(32)30-29-27(31)23-16-10-11-17-25(23)33-19-21-13-7-6-8-14-21/h6-18,20,24H,4-5,19H2,1-3H3,(H,29,31)(H,30,32)
InChIKeyBCFVQPAMQMMZQZ-UHFFFAOYSA-N
MW460.57 g/mol
LogP5.40
Rot. Bonds10

About N'-[2-(2-butan-2-ylphenoxy)butanoyl]-2-phenylmethoxybenzohydrazide

N'-[2-(2-butan-2-ylphenoxy)butanoyl]-2-phenylmethoxybenzohydrazide (PubChem CID 17150849) has the molecular formula C28H32N2O4 and a molecular weight of 460.57 g/mol. Its IUPAC name is N'-[2-(2-butan-2-ylphenoxy)butanoyl]-2-phenylmethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-butan-2-ylphenoxy)butanoyl]-2-phenylmethoxybenzohydrazide
PubChem CID17150849
Molecular FormulaC28H32N2O4
Molecular Weight460.57 g/mol
Exact Mass460.24
IUPAC NameN'-[2-(2-butan-2-ylphenoxy)butanoyl]-2-phenylmethoxybenzohydrazide
SMILESCCC(Oc1ccccc1C(C)CC)C(=O)NNC(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C28H32N2O4/c1-4-20(3)22-15-9-12-18-26(22)34-24(5-2)28(32)30-29-27(31)23-16-10-11-17-25(23)33-19-21-13-7-6-8-14-21/h6-18,20,24H,4-5,19H2,1-3H3,(H,29,31)(H,30,32)
InChIKeyBCFVQPAMQMMZQZ-UHFFFAOYSA-N
XLogP5.40
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.57
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-phenoxybutanoyl)-2-propoxybenzohydrazide
CID 4931745
N'-[2-(2-butan-2-ylphenoxy)butanoyl]-4-hexoxybenzohydrazide
CID 17150845
N'-[2-(4-tert-butylphenoxy)propanoyl]-2-phenylmethoxybenzohydrazide
CID 17046558
2-phenylmethoxy-N'-[2-(4-phenylphenoxy)propanoyl]benzohydrazide
CID 4952061
2-butoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide
CID 4941310
2-(2-butan-2-ylphenoxy)-N'-(2-phenylacetyl)propanehydrazide
CID 17129998
N'-benzoyl-2-phenylmethoxybenzohydrazide
CID 4938014
2-(2-butan-2-ylphenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]butanehydrazide
CID 17150806
4-[2-(2-butan-2-ylphenoxy)butanoylamino]benzoic acid
CID 54855905
2-(2-butan-2-ylphenoxy)-N-hexadecylbutanamide
CID 17150566
N-(4-aminophenyl)-2-(2-butan-2-ylphenoxy)butanamide
CID 46735880
2-(2-butan-2-ylphenoxy)-N-(2-methoxyphenyl)butanamide
CID 17150650

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-butan-2-ylphenoxy)butanoyl]-2-phenylmethoxybenzohydrazide?
The IUPAC name of N'-[2-(2-butan-2-ylphenoxy)butanoyl]-2-phenylmethoxybenzohydrazide (CID 17150849) is N'-[2-(2-butan-2-ylphenoxy)butanoyl]-2-phenylmethoxybenzohydrazide.
What is the SMILES notation for N'-[2-(2-butan-2-ylphenoxy)butanoyl]-2-phenylmethoxybenzohydrazide?
The canonical SMILES for N'-[2-(2-butan-2-ylphenoxy)butanoyl]-2-phenylmethoxybenzohydrazide is CCC(Oc1ccccc1C(C)CC)C(=O)NNC(=O)c1ccccc1OCc1ccccc1.
What is the InChIKey of N'-[2-(2-butan-2-ylphenoxy)butanoyl]-2-phenylmethoxybenzohydrazide?
The InChIKey is BCFVQPAMQMMZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O4/c1-4-20(3)22-15-9-12-18-26(22)34-24(5-2)28(32)30-29-27(31)23-16-10-11-17-25(23)33-19-21-13-7-6-8-14-21/h6-18,20,24H,4-5,19H2,1-3H3,(H,29,31)(H,30,32).
What are the key properties of N'-[2-(2-butan-2-ylphenoxy)butanoyl]-2-phenylmethoxybenzohydrazide?
N'-[2-(2-butan-2-ylphenoxy)butanoyl]-2-phenylmethoxybenzohydrazide has a molecular weight of 460.57 g/mol, XLogP of 5.40, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-butan-2-ylphenoxy)butanoyl]-2-phenylmethoxybenzohydrazide is sourced from PubChem (CID 17150849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).