3-amino-3-(4-methoxy-3-methylphenyl)propanehydrazide

C11H17N3O2 — CID 116848729

IUPAC3-amino-3-(4-methoxy-3-methylphenyl)propanehydrazide
SMILESCOc1ccc(C(N)CC(=O)NN)cc1C
InChIInChI=1S/C11H17N3O2/c1-7-5-8(3-4-10(7)16-2)9(12)6-11(15)14-13/h3-5,9H,6,12-13H2,1-2H3,(H,14,15)
InChIKeyUKOBNSMBTQYDRZ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.38
Rot. Bonds4

About 3-amino-3-(4-methoxy-3-methylphenyl)propanehydrazide

3-amino-3-(4-methoxy-3-methylphenyl)propanehydrazide (PubChem CID 116848729) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-amino-3-(4-methoxy-3-methylphenyl)propanehydrazide.

Molecular Properties

Compound Name3-amino-3-(4-methoxy-3-methylphenyl)propanehydrazide
PubChem CID116848729
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-amino-3-(4-methoxy-3-methylphenyl)propanehydrazide
SMILESCOc1ccc(C(N)CC(=O)NN)cc1C
InChIInChI=1S/C11H17N3O2/c1-7-5-8(3-4-10(7)16-2)9(12)6-11(15)14-13/h3-5,9H,6,12-13H2,1-2H3,(H,14,15)
InChIKeyUKOBNSMBTQYDRZ-UHFFFAOYSA-N
XLogP0.38
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.38
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

methyl 3-amino-3-(4-methoxy-3-methylphenyl)propanoate
CID 62132611
3-amino-3-(3-fluoro-4-methoxyphenyl)propanehydrazide
CID 116848734
3-amino-3-(3-chloro-4-methoxyphenyl)propanehydrazide
CID 116848735
3-amino-3-(2,5-dimethoxy-4-methylphenyl)propanehydrazide
CID 116848790
3-amino-3-(2-methoxy-5-methylphenyl)propanehydrazide
CID 116848730
(1S)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine
CID 55278362
(3R)-3-amino-3-(4-methoxy-3-methylphenyl)propan-1-ol
CID 55265729
methyl (2R)-2-amino-2-(4-methoxy-3-methylphenyl)acetate;hydrochloride
CID 171233347
3-amino-3-(4-ethoxy-3-fluorophenyl)propanehydrazide
CID 116848774
bis(methyl (3S)-3-amino-3-(3,4-dimethoxyphenyl)propanoate);bis(methyl (3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoate)
CID 157337826
methyl 3-(4-methoxy-3-methylphenyl)-4-methylpentanoate
CID 112508803
(4S)-4-amino-4-(4-methoxy-3-methylphenyl)butan-1-ol;hydrochloride
CID 171233352

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-methoxy-3-methylphenyl)propanehydrazide?
The IUPAC name of 3-amino-3-(4-methoxy-3-methylphenyl)propanehydrazide (CID 116848729) is 3-amino-3-(4-methoxy-3-methylphenyl)propanehydrazide.
What is the SMILES notation for 3-amino-3-(4-methoxy-3-methylphenyl)propanehydrazide?
The canonical SMILES for 3-amino-3-(4-methoxy-3-methylphenyl)propanehydrazide is COc1ccc(C(N)CC(=O)NN)cc1C.
What is the InChIKey of 3-amino-3-(4-methoxy-3-methylphenyl)propanehydrazide?
The InChIKey is UKOBNSMBTQYDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7-5-8(3-4-10(7)16-2)9(12)6-11(15)14-13/h3-5,9H,6,12-13H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-3-(4-methoxy-3-methylphenyl)propanehydrazide?
3-amino-3-(4-methoxy-3-methylphenyl)propanehydrazide has a molecular weight of 223.28 g/mol, XLogP of 0.38, 4 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-3-methylphenyl)propanehydrazide is sourced from PubChem (CID 116848729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).