2-(2-butan-2-ylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide

C22H28N2O3 — CID 17129978

IUPAC2-(2-butan-2-ylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide
SMILESCCC(C)c1ccccc1OC(C)C(=O)NNC(=O)CCc1ccccc1
InChIInChI=1S/C22H28N2O3/c1-4-16(2)19-12-8-9-13-20(19)27-17(3)22(26)24-23-21(25)15-14-18-10-6-5-7-11-18/h5-13,16-17H,4,14-15H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyDLIOOFSNXWXVTI-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.75
Rot. Bonds8

About 2-(2-butan-2-ylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide

2-(2-butan-2-ylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide (PubChem CID 17129978) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide
PubChem CID17129978
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-(2-butan-2-ylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide
SMILESCCC(C)c1ccccc1OC(C)C(=O)NNC(=O)CCc1ccccc1
InChIInChI=1S/C22H28N2O3/c1-4-16(2)19-12-8-9-13-20(19)27-17(3)22(26)24-23-21(25)15-14-18-10-6-5-7-11-18/h5-13,16-17H,4,14-15H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyDLIOOFSNXWXVTI-UHFFFAOYSA-N
XLogP3.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-phenylacetyl)propanehydrazide
CID 17129998
2-(2-butan-2-ylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]propanehydrazide
CID 17130025
2-(2-butan-2-ylphenoxy)-N'-[2-(4-methoxyphenyl)acetyl]propanehydrazide
CID 17129993
N-benzyl-2-(2-butan-2-ylphenoxy)propanamide
CID 17129862
2-(2-butan-2-ylphenoxy)-N'-(2-naphthalen-1-yloxyacetyl)propanehydrazide
CID 17130032
2-(2-butan-2-ylphenoxy)-N-phenylpropanamide
CID 17129825
2-(2-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide
CID 51195433
2-(2-butan-2-ylphenoxy)-N-[3-(3-phenylpropanoylamino)phenyl]butanamide
CID 17222982
(2R)-N'-[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]-2-(4-ethylphenoxy)propanehydrazide
CID 9237453
N'-[2-(2-butan-2-ylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
CID 17130050
2-(2-butan-2-ylphenoxy)-N-[3-[3-(dimethylamino)-3-oxopropyl]phenyl]propanamide
CID 43912158
2-(4-bromo-2,6-dimethylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide
CID 4961108

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide (CID 17129978) is 2-(2-butan-2-ylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide is CCC(C)c1ccccc1OC(C)C(=O)NNC(=O)CCc1ccccc1.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide?
The InChIKey is DLIOOFSNXWXVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-4-16(2)19-12-8-9-13-20(19)27-17(3)22(26)24-23-21(25)15-14-18-10-6-5-7-11-18/h5-13,16-17H,4,14-15H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 2-(2-butan-2-ylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide?
2-(2-butan-2-ylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide has a molecular weight of 368.48 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenoxy)-N'-(3-phenylpropanoyl)propanehydrazide is sourced from PubChem (CID 17129978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).