1-[3-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]phenyl]-N-methoxy-1-phenylmethanimine;formohydrazide

C24H29N5O3 — CID 144834427

IUPAC1-[3-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]phenyl]-N-methoxy-1-phenylmethanimine;formohydrazide
SMILESCON=C(c1ccccc1)c1cccc(OCc2c(C)cccc2N(C)N)c1.NNC=O
InChIInChI=1S/C23H25N3O2.CH4N2O/c1-17-9-7-14-22(26(2)24)21(17)16-28-20-13-8-12-19(15-20)23(25-27-3)18-10-5-4-6-11-18;2-3-1-4/h4-15H,16,24H2,1-3H3;1H,2H2,(H,3,4)
InChIKeyHBMIWRRKYAQUCX-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.89
Rot. Bonds8

About 1-[3-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]phenyl]-N-methoxy-1-phenylmethanimine;formohydrazide

1-[3-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]phenyl]-N-methoxy-1-phenylmethanimine;formohydrazide (PubChem CID 144834427) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 1-[3-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]phenyl]-N-methoxy-1-phenylmethanimine;formohydrazide.

Molecular Properties

Compound Name1-[3-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]phenyl]-N-methoxy-1-phenylmethanimine;formohydrazide
PubChem CID144834427
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name1-[3-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]phenyl]-N-methoxy-1-phenylmethanimine;formohydrazide
SMILESCON=C(c1ccccc1)c1cccc(OCc2c(C)cccc2N(C)N)c1.NNC=O
InChIInChI=1S/C23H25N3O2.CH4N2O/c1-17-9-7-14-22(26(2)24)21(17)16-28-20-13-8-12-19(15-20)23(25-27-3)18-10-5-4-6-11-18;2-3-1-4/h4-15H,16,24H2,1-3H3;1H,2H2,(H,3,4)
InChIKeyHBMIWRRKYAQUCX-UHFFFAOYSA-N
XLogP2.89
TPSA115.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[3-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]phenyl]-N-methoxy-1-phenylmethanimine
CID 144834428
4-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]-N,3-dimethyl-N-phenylaniline;formohydrazide
CID 144784749
ethyl 4-[4-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]-3-methylphenyl]-3-methyl-2,4-dioxobutanoate;formohydrazide
CID 144820644
1-[2-[[4-methoxy-3-(3-methoxyphenyl)phenoxy]methyl]-3-methylphenyl]-1-methylhydrazine
CID 146632139
1,3-diamino-1-[2-[[3-(3-methoxyphenyl)phenoxy]methyl]-3-methylphenyl]urea
CID 146633001
1-methyl-4-[3-methyl-2-[[3-(C-phenyl-N-prop-2-enoxycarbonimidoyl)phenoxy]methyl]phenyl]tetrazol-5-one
CID 122492527
1-[2-[(4-bromo-3,5-difluorophenoxy)methyl]-3-methylphenyl]-1-methylhydrazine
CID 139453850
1-[4-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]-3-methylphenyl]ethanone
CID 134300722
4-[2-[2-[amino(methyl)amino]-6-methylphenyl]ethyl]-3-methyl-N'-(methyliminomethyl)benzenecarboximidamide;formohydrazide
CID 144799663
1-[2-[[2-(4-fluorophenyl)-4-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine
CID 144739084
N-amino-N-methylformamide;1-methyl-1-[3-methyl-2-[[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]oxymethyl]phenyl]hydrazine
CID 144815440
1-[2-[[3-(4-fluorophenyl)-4-methylphenoxy]methyl]-3-methylphenyl]-1-methylhydrazine
CID 146633032

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]phenyl]-N-methoxy-1-phenylmethanimine;formohydrazide?
The IUPAC name of 1-[3-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]phenyl]-N-methoxy-1-phenylmethanimine;formohydrazide (CID 144834427) is 1-[3-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]phenyl]-N-methoxy-1-phenylmethanimine;formohydrazide.
What is the SMILES notation for 1-[3-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]phenyl]-N-methoxy-1-phenylmethanimine;formohydrazide?
The canonical SMILES for 1-[3-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]phenyl]-N-methoxy-1-phenylmethanimine;formohydrazide is CON=C(c1ccccc1)c1cccc(OCc2c(C)cccc2N(C)N)c1.NNC=O.
What is the InChIKey of 1-[3-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]phenyl]-N-methoxy-1-phenylmethanimine;formohydrazide?
The InChIKey is HBMIWRRKYAQUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2.CH4N2O/c1-17-9-7-14-22(26(2)24)21(17)16-28-20-13-8-12-19(15-20)23(25-27-3)18-10-5-4-6-11-18;2-3-1-4/h4-15H,16,24H2,1-3H3;1H,2H2,(H,3,4).
What are the key properties of 1-[3-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]phenyl]-N-methoxy-1-phenylmethanimine;formohydrazide?
1-[3-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]phenyl]-N-methoxy-1-phenylmethanimine;formohydrazide has a molecular weight of 435.53 g/mol, XLogP of 2.89, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[2-[amino(methyl)amino]-6-methylphenyl]methoxy]phenyl]-N-methoxy-1-phenylmethanimine;formohydrazide is sourced from PubChem (CID 144834427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).