3-[(2-methoxyphenyl)methyl-methylamino]-2-methylbutanehydrazide

C14H23N3O2 — CID 79408377

IUPAC3-[(2-methoxyphenyl)methyl-methylamino]-2-methylbutanehydrazide
SMILESCOc1ccccc1CN(C)C(C)C(C)C(=O)NN
InChIInChI=1S/C14H23N3O2/c1-10(14(18)16-15)11(2)17(3)9-12-7-5-6-8-13(12)19-4/h5-8,10-11H,9,15H2,1-4H3,(H,16,18)
InChIKeyKZRFTSXMEGYJOH-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.14
Rot. Bonds6

About 3-[(2-methoxyphenyl)methyl-methylamino]-2-methylbutanehydrazide

3-[(2-methoxyphenyl)methyl-methylamino]-2-methylbutanehydrazide (PubChem CID 79408377) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methyl-methylamino]-2-methylbutanehydrazide.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methyl-methylamino]-2-methylbutanehydrazide
PubChem CID79408377
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-[(2-methoxyphenyl)methyl-methylamino]-2-methylbutanehydrazide
SMILESCOc1ccccc1CN(C)C(C)C(C)C(=O)NN
InChIInChI=1S/C14H23N3O2/c1-10(14(18)16-15)11(2)17(3)9-12-7-5-6-8-13(12)19-4/h5-8,10-11H,9,15H2,1-4H3,(H,16,18)
InChIKeyKZRFTSXMEGYJOH-UHFFFAOYSA-N
XLogP1.14
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
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

1-[(2-methoxyphenyl)methyl-methylamino]ethanol
CID 67668408
2-[(2-methoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide
CID 78815655
2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propanehydrazide
CID 65486572
methyl 3-[(2-fluorophenyl)methyl-methylamino]-2-methylbutanoate
CID 79406108
methyl 2-[(2-methoxyphenyl)methyl-methylamino]hexanoate
CID 115666744
(2S)-2-[(2-methoxyphenyl)methyl-methylamino]-4-methylpentanoic acid
CID 70067664
(2S)-2-[(2-methoxyphenyl)methyl-methylamino]-N-prop-2-enylpropanamide
CID 94015388
2-[(2-methoxyphenyl)methyl-methylamino]butanedioic acid
CID 115144426
4-amino-N-ethyl-3-[(2-methoxyphenyl)methyl-methylamino]butanamide
CID 66428224
2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethylpentane-1,2-diamine
CID 61420132
3-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 27095531
2-[(2-methoxyphenyl)methyl-methylamino]propanenitrile
CID 60646378

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methyl-methylamino]-2-methylbutanehydrazide?
The IUPAC name of 3-[(2-methoxyphenyl)methyl-methylamino]-2-methylbutanehydrazide (CID 79408377) is 3-[(2-methoxyphenyl)methyl-methylamino]-2-methylbutanehydrazide.
What is the SMILES notation for 3-[(2-methoxyphenyl)methyl-methylamino]-2-methylbutanehydrazide?
The canonical SMILES for 3-[(2-methoxyphenyl)methyl-methylamino]-2-methylbutanehydrazide is COc1ccccc1CN(C)C(C)C(C)C(=O)NN.
What is the InChIKey of 3-[(2-methoxyphenyl)methyl-methylamino]-2-methylbutanehydrazide?
The InChIKey is KZRFTSXMEGYJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(14(18)16-15)11(2)17(3)9-12-7-5-6-8-13(12)19-4/h5-8,10-11H,9,15H2,1-4H3,(H,16,18).
What are the key properties of 3-[(2-methoxyphenyl)methyl-methylamino]-2-methylbutanehydrazide?
3-[(2-methoxyphenyl)methyl-methylamino]-2-methylbutanehydrazide has a molecular weight of 265.36 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methyl-methylamino]-2-methylbutanehydrazide is sourced from PubChem (CID 79408377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).