(2S)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide

C24H32N2O4 — CID 9241041

IUPAC(2S)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
SMILESCc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C24H32N2O4/c1-15(2)19-8-10-20(11-9-19)30-18(6)24(28)26-25-23(27)14-29-22-13-17(5)7-12-21(22)16(3)4/h7-13,15-16,18H,14H2,1-6H3,(H,25,27)(H,26,28)/t18-/m0/s1
InChIKeyFDBNYFKLAGLZTF-SFHVURJKSA-N
MW412.53 g/mol
LogP4.24
Rot. Bonds8

About (2S)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide

(2S)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide (PubChem CID 9241041) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is (2S)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide.

Molecular Properties

Compound Name(2S)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
PubChem CID9241041
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Name(2S)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
SMILESCc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C24H32N2O4/c1-15(2)19-8-10-20(11-9-19)30-18(6)24(28)26-25-23(27)14-29-22-13-17(5)7-12-21(22)16(3)4/h7-13,15-16,18H,14H2,1-6H3,(H,25,27)(H,26,28)/t18-/m0/s1
InChIKeyFDBNYFKLAGLZTF-SFHVURJKSA-N
XLogP4.24
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 7927374
N'-[2-(3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 4953842
N'-[2-(2-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 4953840
N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4952125
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-phenoxypropanehydrazide
CID 3473295
2-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 4940013
2-(4-chlorophenoxy)-N'-[2-(2-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 4944112
N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(4-propanoylphenoxy)acetohydrazide
CID 4811488
(2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide
CID 9206084
N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 54782202
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 4953866
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide
CID 4952015

Frequently Asked Questions

What is the IUPAC name of (2S)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide?
The IUPAC name of (2S)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide (CID 9241041) is (2S)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide.
What is the SMILES notation for (2S)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide?
The canonical SMILES for (2S)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide is Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)c1.
What is the InChIKey of (2S)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide?
The InChIKey is FDBNYFKLAGLZTF-SFHVURJKSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-15(2)19-8-10-20(11-9-19)30-18(6)24(28)26-25-23(27)14-29-22-13-17(5)7-12-21(22)16(3)4/h7-13,15-16,18H,14H2,1-6H3,(H,25,27)(H,26,28)/t18-/m0/s1.
What are the key properties of (2S)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide?
(2S)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide has a molecular weight of 412.53 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide is sourced from PubChem (CID 9241041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).