N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(3-methylphenoxy)butanehydrazide

C23H23BrN2O4 — CID 4928719

IUPACN'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(3-methylphenoxy)butanehydrazide
SMILESCCC(Oc1cccc(C)c1)C(=O)NNC(=O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C23H23BrN2O4/c1-3-19(30-17-9-6-7-15(2)13-17)23(28)26-25-21(27)14-29-20-12-11-16-8-4-5-10-18(16)22(20)24/h4-13,19H,3,14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyCLCYMVVRDLFBLT-UHFFFAOYSA-N
MW471.35 g/mol
LogP4.29
Rot. Bonds7

About N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(3-methylphenoxy)butanehydrazide

N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(3-methylphenoxy)butanehydrazide (PubChem CID 4928719) has the molecular formula C23H23BrN2O4 and a molecular weight of 471.35 g/mol. Its IUPAC name is N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(3-methylphenoxy)butanehydrazide.

Molecular Properties

Compound NameN'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(3-methylphenoxy)butanehydrazide
PubChem CID4928719
Molecular FormulaC23H23BrN2O4
Molecular Weight471.35 g/mol
Exact Mass470.08
IUPAC NameN'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(3-methylphenoxy)butanehydrazide
SMILESCCC(Oc1cccc(C)c1)C(=O)NNC(=O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C23H23BrN2O4/c1-3-19(30-17-9-6-7-15(2)13-17)23(28)26-25-21(27)14-29-20-12-11-16-8-4-5-10-18(16)22(20)24/h4-13,19H,3,14H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyCLCYMVVRDLFBLT-UHFFFAOYSA-N
XLogP4.29
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.35
LogP ≤ 54.29
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-(2,4-dimethylphenoxy)acetyl]-2-(3-methylphenoxy)butanehydrazide
CID 4928664
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(3-methylphenoxy)butanehydrazide
CID 4928809
(2R)-N'-[2-(2,5-dimethylphenoxy)acetyl]-2-phenoxybutanehydrazide
CID 40623782
methyl 3-[2-[2-(1-bromonaphthalen-2-yl)oxyacetyl]hydrazinyl]-3-oxopropanoate
CID 28638196
2-(3-methylphenoxy)-N-naphthalen-1-ylbutanamide
CID 4928355
2-(1-bromonaphthalen-2-yl)oxy-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154684
propyl 4-[2-[2-[2-(3-methylphenoxy)butanoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4928819
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(2-methylphenoxy)butanehydrazide
CID 4931994
N'-[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(1-bromonaphthalen-2-yl)oxyacetohydrazide
CID 3292496
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-2-(4-methylphenoxy)butanehydrazide
CID 4950294
N'-[2-(2,3-dimethylphenoxy)acetyl]-2-(4-methylphenoxy)butanehydrazide
CID 17343934
4-methyl-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide
CID 4928674

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(3-methylphenoxy)butanehydrazide?
The IUPAC name of N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(3-methylphenoxy)butanehydrazide (CID 4928719) is N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(3-methylphenoxy)butanehydrazide.
What is the SMILES notation for N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(3-methylphenoxy)butanehydrazide?
The canonical SMILES for N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(3-methylphenoxy)butanehydrazide is CCC(Oc1cccc(C)c1)C(=O)NNC(=O)COc1ccc2ccccc2c1Br.
What is the InChIKey of N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(3-methylphenoxy)butanehydrazide?
The InChIKey is CLCYMVVRDLFBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN2O4/c1-3-19(30-17-9-6-7-15(2)13-17)23(28)26-25-21(27)14-29-20-12-11-16-8-4-5-10-18(16)22(20)24/h4-13,19H,3,14H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(3-methylphenoxy)butanehydrazide?
N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(3-methylphenoxy)butanehydrazide has a molecular weight of 471.35 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-bromonaphthalen-2-yl)oxyacetyl]-2-(3-methylphenoxy)butanehydrazide is sourced from PubChem (CID 4928719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).