2-(2-butan-2-ylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]butanehydrazide

C23H29ClN2O4 — CID 17150750

IUPAC2-(2-butan-2-ylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]butanehydrazide
SMILESCCC(Oc1ccccc1C(C)CC)C(=O)NNC(=O)COc1ccc(Cl)c(C)c1
InChIInChI=1S/C23H29ClN2O4/c1-5-15(3)18-9-7-8-10-21(18)30-20(6-2)23(28)26-25-22(27)14-29-17-11-12-19(24)16(4)13-17/h7-13,15,20H,5-6,14H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyGVUPPJVYHLZEOC-UHFFFAOYSA-N
MW432.95 g/mol
LogP4.55
Rot. Bonds9

About 2-(2-butan-2-ylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]butanehydrazide

2-(2-butan-2-ylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]butanehydrazide (PubChem CID 17150750) has the molecular formula C23H29ClN2O4 and a molecular weight of 432.95 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]butanehydrazide.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]butanehydrazide
PubChem CID17150750
Molecular FormulaC23H29ClN2O4
Molecular Weight432.95 g/mol
Exact Mass432.18
IUPAC Name2-(2-butan-2-ylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]butanehydrazide
SMILESCCC(Oc1ccccc1C(C)CC)C(=O)NNC(=O)COc1ccc(Cl)c(C)c1
InChIInChI=1S/C23H29ClN2O4/c1-5-15(3)18-9-7-8-10-21(18)30-20(6-2)23(28)26-25-22(27)14-29-17-11-12-19(24)16(4)13-17/h7-13,15,20H,5-6,14H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyGVUPPJVYHLZEOC-UHFFFAOYSA-N
XLogP4.55
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.95
LogP ≤ 54.55
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

2-(2-butan-2-ylphenoxy)-N'-[2-(2,4-dibromophenoxy)acetyl]butanehydrazide
CID 17150806
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(2-methylphenoxy)butanehydrazide
CID 4931994
2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 7719203
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-2-(2-methylpropoxy)benzohydrazide
CID 4945545
N-[(2S,3S)-1-[2-[2-(4-chloro-3-methylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 24538954
2-(4-chloro-3-methylphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 53289071
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-3-methylphenoxy)propanamide
CID 7542731
2-(2-butan-2-ylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]propanehydrazide
CID 17130025
2-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]butanehydrazide
CID 4929692
N'-[2-(2-butan-2-ylphenoxy)butanoyl]-4-hexoxybenzohydrazide
CID 17150845
2-(2-butan-2-ylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 17150580

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]butanehydrazide?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]butanehydrazide (CID 17150750) is 2-(2-butan-2-ylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]butanehydrazide.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]butanehydrazide?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]butanehydrazide is CCC(Oc1ccccc1C(C)CC)C(=O)NNC(=O)COc1ccc(Cl)c(C)c1.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]butanehydrazide?
The InChIKey is GVUPPJVYHLZEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O4/c1-5-15(3)18-9-7-8-10-21(18)30-20(6-2)23(28)26-25-22(27)14-29-17-11-12-19(24)16(4)13-17/h7-13,15,20H,5-6,14H2,1-4H3,(H,25,27)(H,26,28).
What are the key properties of 2-(2-butan-2-ylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]butanehydrazide?
2-(2-butan-2-ylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]butanehydrazide has a molecular weight of 432.95 g/mol, XLogP of 4.55, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]butanehydrazide is sourced from PubChem (CID 17150750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).