(2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide

C25H28N2O4 — CID 7927374

IUPAC(2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
SMILESCc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1
InChIInChI=1S/C25H28N2O4/c1-16(2)22-12-9-17(3)13-23(22)30-15-24(28)26-27-25(29)18(4)31-21-11-10-19-7-5-6-8-20(19)14-21/h5-14,16,18H,15H2,1-4H3,(H,26,28)(H,27,29)/t18-/m1/s1
InChIKeyONJWUOZZQGXOFB-GOSISDBHSA-N
MW420.51 g/mol
LogP4.27
Rot. Bonds7

About (2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide

(2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide (PubChem CID 7927374) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is (2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide.

Molecular Properties

Compound Name(2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
PubChem CID7927374
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Name(2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
SMILESCc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1
InChIInChI=1S/C25H28N2O4/c1-16(2)22-12-9-17(3)13-23(22)30-15-24(28)26-27-25(29)18(4)31-21-11-10-19-7-5-6-8-20(19)14-21/h5-14,16,18H,15H2,1-4H3,(H,26,28)(H,27,29)/t18-/m1/s1
InChIKeyONJWUOZZQGXOFB-GOSISDBHSA-N
XLogP4.27
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.27
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

(2S)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 9241041
(2R)-N'-[2-(2-fluorophenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 7927377
(2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide
CID 9206084
(2S)-N'-[2-(4-methoxyphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 8757594
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-phenoxypropanehydrazide
CID 3473295
(2R)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757605
(2S)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757604
(2R)-N'-[2-(2-cyanophenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 8008591
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide
CID 4952015
1-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-3-naphthalen-1-ylurea
CID 5054756
(2S)-2-(4-fluorophenoxy)-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide
CID 9368212
(2R)-2-naphthalen-2-yloxy-N'-propanoylpropanehydrazide
CID 8757548

Frequently Asked Questions

What is the IUPAC name of (2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide?
The IUPAC name of (2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide (CID 7927374) is (2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide.
What is the SMILES notation for (2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide?
The canonical SMILES for (2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide is Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1.
What is the InChIKey of (2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide?
The InChIKey is ONJWUOZZQGXOFB-GOSISDBHSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-16(2)22-12-9-17(3)13-23(22)30-15-24(28)26-27-25(29)18(4)31-21-11-10-19-7-5-6-8-20(19)14-21/h5-14,16,18H,15H2,1-4H3,(H,26,28)(H,27,29)/t18-/m1/s1.
What are the key properties of (2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide?
(2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide has a molecular weight of 420.51 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide is sourced from PubChem (CID 7927374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).