(2S)-N'-[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]-2-(4-ethylphenoxy)propanehydrazide

C23H30N2O4 — CID 9238209

IUPAC(2S)-N'-[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]-2-(4-ethylphenoxy)propanehydrazide
SMILESCCc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc([C@H](C)CC)cc2)cc1
InChIInChI=1S/C23H30N2O4/c1-5-16(3)19-9-13-20(14-10-19)28-15-22(26)24-25-23(27)17(4)29-21-11-7-18(6-2)8-12-21/h7-14,16-17H,5-6,15H2,1-4H3,(H,24,26)(H,25,27)/t16-,17+/m1/s1
InChIKeyIYSIRTKKCAJQLY-SJORKVTESA-N
MW398.50 g/mol
LogP3.76
Rot. Bonds9

About (2S)-N'-[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]-2-(4-ethylphenoxy)propanehydrazide

(2S)-N'-[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]-2-(4-ethylphenoxy)propanehydrazide (PubChem CID 9238209) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is (2S)-N'-[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]-2-(4-ethylphenoxy)propanehydrazide.

Molecular Properties

Compound Name(2S)-N'-[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]-2-(4-ethylphenoxy)propanehydrazide
PubChem CID9238209
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name(2S)-N'-[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]-2-(4-ethylphenoxy)propanehydrazide
SMILESCCc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc([C@H](C)CC)cc2)cc1
InChIInChI=1S/C23H30N2O4/c1-5-16(3)19-9-13-20(14-10-19)28-15-22(26)24-25-23(27)17(4)29-21-11-7-18(6-2)8-12-21/h7-14,16-17H,5-6,15H2,1-4H3,(H,24,26)(H,25,27)/t16-,17+/m1/s1
InChIKeyIYSIRTKKCAJQLY-SJORKVTESA-N
XLogP3.76
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.76
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

(2R)-2-(4-ethylphenoxy)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
CID 9238118
(2S)-N'-[2-(4-ethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 9241096
(2R)-N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-2-(4-ethylphenoxy)propanehydrazide
CID 9237453
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(4-ethylphenoxy)propanehydrazide
CID 4953417
(2R)-2-(4-ethylphenoxy)-N'-[2-(2-methylphenoxy)acetyl]propanehydrazide
CID 9237786
2-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 4940013
N'-[2-(4-ethylphenoxy)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 78565397
(2R)-2-(4-ethylphenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 9237430
[1-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea
CID 4801112
2-(4-ethylphenoxy)-N'-(2-phenylacetyl)propanehydrazide
CID 4953447
(2S)-2-(4-ethylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide
CID 9237683
2-(4-ethylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide
CID 4953442

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]-2-(4-ethylphenoxy)propanehydrazide?
The IUPAC name of (2S)-N'-[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]-2-(4-ethylphenoxy)propanehydrazide (CID 9238209) is (2S)-N'-[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]-2-(4-ethylphenoxy)propanehydrazide.
What is the SMILES notation for (2S)-N'-[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]-2-(4-ethylphenoxy)propanehydrazide?
The canonical SMILES for (2S)-N'-[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]-2-(4-ethylphenoxy)propanehydrazide is CCc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccc([C@H](C)CC)cc2)cc1.
What is the InChIKey of (2S)-N'-[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]-2-(4-ethylphenoxy)propanehydrazide?
The InChIKey is IYSIRTKKCAJQLY-SJORKVTESA-N. The full InChI is InChI=1S/C23H30N2O4/c1-5-16(3)19-9-13-20(14-10-19)28-15-22(26)24-25-23(27)17(4)29-21-11-7-18(6-2)8-12-21/h7-14,16-17H,5-6,15H2,1-4H3,(H,24,26)(H,25,27)/t16-,17+/m1/s1.
What are the key properties of (2S)-N'-[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]-2-(4-ethylphenoxy)propanehydrazide?
(2S)-N'-[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]-2-(4-ethylphenoxy)propanehydrazide has a molecular weight of 398.50 g/mol, XLogP of 3.76, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]-2-(4-ethylphenoxy)propanehydrazide is sourced from PubChem (CID 9238209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).