cyclopropyl-[4-[[2-cyclopropyl-6-(methylamino)phenyl]methoxy]-3-methylphenyl]methanone;1-ethenyl-1-methylhydrazine

C25H33N3O2 — CID 144659539

IUPACcyclopropyl-[4-[[2-cyclopropyl-6-(methylamino)phenyl]methoxy]-3-methylphenyl]methanone;1-ethenyl-1-methylhydrazine
SMILESC=CN(C)N.CNc1cccc(C2CC2)c1COc1ccc(C(=O)C2CC2)cc1C
InChIInChI=1S/C22H25NO2.C3H8N2/c1-14-12-17(22(24)16-8-9-16)10-11-21(14)25-13-19-18(15-6-7-15)4-3-5-20(19)23-2;1-3-5(2)4/h3-5,10-12,15-16,23H,6-9,13H2,1-2H3;3H,1,4H2,2H3
InChIKeyBCHDXGMETVPJMR-UHFFFAOYSA-N
MW407.56 g/mol
LogP5.02
Rot. Bonds8

About cyclopropyl-[4-[[2-cyclopropyl-6-(methylamino)phenyl]methoxy]-3-methylphenyl]methanone;1-ethenyl-1-methylhydrazine

cyclopropyl-[4-[[2-cyclopropyl-6-(methylamino)phenyl]methoxy]-3-methylphenyl]methanone;1-ethenyl-1-methylhydrazine (PubChem CID 144659539) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is cyclopropyl-[4-[[2-cyclopropyl-6-(methylamino)phenyl]methoxy]-3-methylphenyl]methanone;1-ethenyl-1-methylhydrazine.

Molecular Properties

Compound Namecyclopropyl-[4-[[2-cyclopropyl-6-(methylamino)phenyl]methoxy]-3-methylphenyl]methanone;1-ethenyl-1-methylhydrazine
PubChem CID144659539
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Namecyclopropyl-[4-[[2-cyclopropyl-6-(methylamino)phenyl]methoxy]-3-methylphenyl]methanone;1-ethenyl-1-methylhydrazine
SMILESC=CN(C)N.CNc1cccc(C2CC2)c1COc1ccc(C(=O)C2CC2)cc1C
InChIInChI=1S/C22H25NO2.C3H8N2/c1-14-12-17(22(24)16-8-9-16)10-11-21(14)25-13-19-18(15-6-7-15)4-3-5-20(19)23-2;1-3-5(2)4/h3-5,10-12,15-16,23H,6-9,13H2,1-2H3;3H,1,4H2,2H3
InChIKeyBCHDXGMETVPJMR-UHFFFAOYSA-N
XLogP5.02
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.56
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-[2-[[4-(cyclopropanecarbonyl)-2-methylphenoxy]methyl]-3-methylphenyl]-1-methylurea
CID 129109909
1-[2-[[4-(cyclopropanecarbonyl)-2-methylphenoxy]methyl]-3-cyclopropylphenyl]-4-methyltetrazol-5-one
CID 118290399
3-cyclopropyl-2-[[4-(3-fluoro-2-pyridinyl)-2-methylphenoxy]methyl]-N-methylaniline
CID 144773248
ethyl 3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]benzoate
CID 121367560
methyl 3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]benzoate
CID 121367539
[3-methyl-4-[[2-methyl-6-(methylamino)phenyl]methoxy]phenyl]-phenylmethanone
CID 144659514
1-amino-3-[3-cyclopropyl-2-[[2-methyl-4-(6-methyl-3-pyridinyl)phenoxy]methyl]phenyl]urea
CID 144772839
N-[3-cyclopropyl-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]propanethioamide
CID 129039138
1-[3-cyclopropyl-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]-1-hydroxy-3-methylurea
CID 129039023
2-[(4-chloro-3-pyridinyl)oxymethyl]-3-cyclopropyl-N-methylaniline;formohydrazide
CID 144784027
3-methyl-4-[[2-methyl-6-(methylamino)phenyl]methoxy]phenol
CID 129110182
formohydrazide;3-methyl-4-[[2-methyl-6-(methylamino)phenyl]methoxy]phenol
CID 144784892

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[[2-cyclopropyl-6-(methylamino)phenyl]methoxy]-3-methylphenyl]methanone;1-ethenyl-1-methylhydrazine?
The IUPAC name of cyclopropyl-[4-[[2-cyclopropyl-6-(methylamino)phenyl]methoxy]-3-methylphenyl]methanone;1-ethenyl-1-methylhydrazine (CID 144659539) is cyclopropyl-[4-[[2-cyclopropyl-6-(methylamino)phenyl]methoxy]-3-methylphenyl]methanone;1-ethenyl-1-methylhydrazine.
What is the SMILES notation for cyclopropyl-[4-[[2-cyclopropyl-6-(methylamino)phenyl]methoxy]-3-methylphenyl]methanone;1-ethenyl-1-methylhydrazine?
The canonical SMILES for cyclopropyl-[4-[[2-cyclopropyl-6-(methylamino)phenyl]methoxy]-3-methylphenyl]methanone;1-ethenyl-1-methylhydrazine is C=CN(C)N.CNc1cccc(C2CC2)c1COc1ccc(C(=O)C2CC2)cc1C.
What is the InChIKey of cyclopropyl-[4-[[2-cyclopropyl-6-(methylamino)phenyl]methoxy]-3-methylphenyl]methanone;1-ethenyl-1-methylhydrazine?
The InChIKey is BCHDXGMETVPJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2.C3H8N2/c1-14-12-17(22(24)16-8-9-16)10-11-21(14)25-13-19-18(15-6-7-15)4-3-5-20(19)23-2;1-3-5(2)4/h3-5,10-12,15-16,23H,6-9,13H2,1-2H3;3H,1,4H2,2H3.
What are the key properties of cyclopropyl-[4-[[2-cyclopropyl-6-(methylamino)phenyl]methoxy]-3-methylphenyl]methanone;1-ethenyl-1-methylhydrazine?
cyclopropyl-[4-[[2-cyclopropyl-6-(methylamino)phenyl]methoxy]-3-methylphenyl]methanone;1-ethenyl-1-methylhydrazine has a molecular weight of 407.56 g/mol, XLogP of 5.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[[2-cyclopropyl-6-(methylamino)phenyl]methoxy]-3-methylphenyl]methanone;1-ethenyl-1-methylhydrazine is sourced from PubChem (CID 144659539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).