3-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanehydrazide

C14H23N3O2 — CID 116848764

IUPAC3-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanehydrazide
SMILESCOc1cc(C)c(C(N)CC(=O)NN)cc1C(C)C
InChIInChI=1S/C14H23N3O2/c1-8(2)10-6-11(9(3)5-13(10)19-4)12(15)7-14(18)17-16/h5-6,8,12H,7,15-16H2,1-4H3,(H,17,18)
InChIKeyFZYGIIMLIKIGBG-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.51
Rot. Bonds5

About 3-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanehydrazide

3-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanehydrazide (PubChem CID 116848764) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanehydrazide.

Molecular Properties

Compound Name3-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanehydrazide
PubChem CID116848764
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanehydrazide
SMILESCOc1cc(C)c(C(N)CC(=O)NN)cc1C(C)C
InChIInChI=1S/C14H23N3O2/c1-8(2)10-6-11(9(3)5-13(10)19-4)12(15)7-14(18)17-16/h5-6,8,12H,7,15-16H2,1-4H3,(H,17,18)
InChIKeyFZYGIIMLIKIGBG-UHFFFAOYSA-N
XLogP1.51
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-3-(2,5-dimethoxy-4-methylphenyl)propanehydrazide
CID 116848790
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine
CID 116934324
methyl 2-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanoate
CID 112519692
3-amino-3-(2-methoxy-5-methylphenyl)propanehydrazide
CID 116848730
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethylhydrazine
CID 82473084
3-amino-3-(4-methoxy-3-methylphenyl)propanehydrazide
CID 116848729
2-cyclopropyl-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanamine
CID 69279572
3-amino-3-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 116850956
2,3-diamino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propan-1-ol
CID 116942367
3-amino-3-(4-methoxy-2,5-dimethylphenyl)propanamide
CID 116850930
1-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-propylurea
CID 133217631
2-amino-2-(4-methoxy-2,5-dimethylphenyl)acetohydrazide
CID 116848433

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanehydrazide?
The IUPAC name of 3-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanehydrazide (CID 116848764) is 3-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanehydrazide.
What is the SMILES notation for 3-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanehydrazide?
The canonical SMILES for 3-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanehydrazide is COc1cc(C)c(C(N)CC(=O)NN)cc1C(C)C.
What is the InChIKey of 3-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanehydrazide?
The InChIKey is FZYGIIMLIKIGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-8(2)10-6-11(9(3)5-13(10)19-4)12(15)7-14(18)17-16/h5-6,8,12H,7,15-16H2,1-4H3,(H,17,18).
What are the key properties of 3-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanehydrazide?
3-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanehydrazide has a molecular weight of 265.36 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanehydrazide is sourced from PubChem (CID 116848764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).