(2S)-N'-[2-(4-ethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide

C22H28N2O4 — CID 9241096

IUPAC(2S)-N'-[2-(4-ethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C22H28N2O4/c1-5-17-6-10-19(11-7-17)27-14-21(25)23-24-22(26)16(4)28-20-12-8-18(9-13-20)15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,23,25)(H,24,26)/t16-/m0/s1
InChIKeyQYQXAWSGSLDWNO-INIZCTEOSA-N
MW384.48 g/mol
LogP3.37
Rot. Bonds8

About (2S)-N'-[2-(4-ethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide

(2S)-N'-[2-(4-ethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide (PubChem CID 9241096) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is (2S)-N'-[2-(4-ethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide.

Molecular Properties

Compound Name(2S)-N'-[2-(4-ethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
PubChem CID9241096
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name(2S)-N'-[2-(4-ethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C22H28N2O4/c1-5-17-6-10-19(11-7-17)27-14-21(25)23-24-22(26)16(4)28-20-12-8-18(9-13-20)15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,23,25)(H,24,26)/t16-/m0/s1
InChIKeyQYQXAWSGSLDWNO-INIZCTEOSA-N
XLogP3.37
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.37
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-[(2R)-butan-2-yl]phenoxy]acetyl]-2-(4-ethylphenoxy)propanehydrazide
CID 9238209
2-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 4940013
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(4-ethylphenoxy)propanehydrazide
CID 4953417
(2S)-N'-[2-(4-nitrophenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 9240937
(2R)-2-(4-ethylphenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 9237430
(2R)-2-(4-ethylphenoxy)-N'-[2-(2-methylphenoxy)acetyl]propanehydrazide
CID 9237786
N'-[2-(3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 4953842
(2R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-ethylphenoxy)propanehydrazide
CID 9237851
N'-[2-(4-ethylphenoxy)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 78565397
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 4953866
N'-[2-(2-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 4953840

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-[2-(4-ethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide?
The IUPAC name of (2S)-N'-[2-(4-ethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide (CID 9241096) is (2S)-N'-[2-(4-ethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide.
What is the SMILES notation for (2S)-N'-[2-(4-ethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide?
The canonical SMILES for (2S)-N'-[2-(4-ethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide is CCc1ccc(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of (2S)-N'-[2-(4-ethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide?
The InChIKey is QYQXAWSGSLDWNO-INIZCTEOSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-5-17-6-10-19(11-7-17)27-14-21(25)23-24-22(26)16(4)28-20-12-8-18(9-13-20)15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,23,25)(H,24,26)/t16-/m0/s1.
What are the key properties of (2S)-N'-[2-(4-ethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide?
(2S)-N'-[2-(4-ethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide has a molecular weight of 384.48 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-[2-(4-ethylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide is sourced from PubChem (CID 9241096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).