methylidyne-[2-[4-[(4-methylphenoxy)-oxidoamino]phenoxy]propan-2-yl]azanium

C17H18N2O3 — CID 163648047

IUPACmethylidyne-[2-[4-[(4-methylphenoxy)-oxidoamino]phenoxy]propan-2-yl]azanium
SMILESC#[N+]C(C)(C)Oc1ccc(N([O-])Oc2ccc(C)cc2)cc1
InChIInChI=1S/C17H18N2O3/c1-13-5-9-16(10-6-13)22-19(20)14-7-11-15(12-8-14)21-17(2,3)18-4/h4-12H,1-3H3
InChIKeyYEDSYOMWFNPNKY-UHFFFAOYSA-N
MW298.34 g/mol
LogP4.37
Rot. Bonds5

About methylidyne-[2-[4-[(4-methylphenoxy)-oxidoamino]phenoxy]propan-2-yl]azanium

methylidyne-[2-[4-[(4-methylphenoxy)-oxidoamino]phenoxy]propan-2-yl]azanium (PubChem CID 163648047) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is methylidyne-[2-[4-[(4-methylphenoxy)-oxidoamino]phenoxy]propan-2-yl]azanium.

Molecular Properties

Compound Namemethylidyne-[2-[4-[(4-methylphenoxy)-oxidoamino]phenoxy]propan-2-yl]azanium
PubChem CID163648047
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Namemethylidyne-[2-[4-[(4-methylphenoxy)-oxidoamino]phenoxy]propan-2-yl]azanium
SMILESC#[N+]C(C)(C)Oc1ccc(N([O-])Oc2ccc(C)cc2)cc1
InChIInChI=1S/C17H18N2O3/c1-13-5-9-16(10-6-13)22-19(20)14-7-11-15(12-8-14)21-17(2,3)18-4/h4-12H,1-3H3
InChIKeyYEDSYOMWFNPNKY-UHFFFAOYSA-N
XLogP4.37
TPSA49.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[4-[4-(4-methyl-N-oxidoanilino)oxyphenyl]phenoxy]-N-oxidoaniline
CID 163495592
1-[2-[4-[(4-methoxyphenoxy)-oxidoamino]oxyphenyl]propan-2-yl]-4-methylbenzene
CID 163733614
1-[2,4-dimethyl-4-(4-methylphenoxy)pentan-2-yl]oxy-4-methylbenzene
CID 142305677
1-methyl-4-(2-methylbutan-2-yloxy)benzene
CID 572689
ethane;2-methyl-2-(4-methylphenoxy)propanamide
CID 145199634
1-N-methyl-4-N-[4-[4-[4-(4-methylphenoxy)-N-oxidoanilino]phenoxy]phenyl]-1-N,4-N-dioxidobenzene-1,4-diamine
CID 163787963
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
1-methyl-4-(2-methylbut-3-en-2-yloxy)benzene
CID 578552
4-N-[4-[4-(N,4-dimethylanilino)-N-methylanilino]phenyl]-1-N,4-N-dimethyl-1-N-(4-methylphenyl)benzene-1,4-diamine
CID 90265189
N-(4-methylphenoxy)methanamine
CID 117126752
1-methyl-4-(2-methylpentan-2-yloxy)benzene
CID 163980020
methanamine;1-methyl-4-(trifluoromethoxy)benzene
CID 142968815

Frequently Asked Questions

What is the IUPAC name of methylidyne-[2-[4-[(4-methylphenoxy)-oxidoamino]phenoxy]propan-2-yl]azanium?
The IUPAC name of methylidyne-[2-[4-[(4-methylphenoxy)-oxidoamino]phenoxy]propan-2-yl]azanium (CID 163648047) is methylidyne-[2-[4-[(4-methylphenoxy)-oxidoamino]phenoxy]propan-2-yl]azanium.
What is the SMILES notation for methylidyne-[2-[4-[(4-methylphenoxy)-oxidoamino]phenoxy]propan-2-yl]azanium?
The canonical SMILES for methylidyne-[2-[4-[(4-methylphenoxy)-oxidoamino]phenoxy]propan-2-yl]azanium is C#[N+]C(C)(C)Oc1ccc(N([O-])Oc2ccc(C)cc2)cc1.
What is the InChIKey of methylidyne-[2-[4-[(4-methylphenoxy)-oxidoamino]phenoxy]propan-2-yl]azanium?
The InChIKey is YEDSYOMWFNPNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-13-5-9-16(10-6-13)22-19(20)14-7-11-15(12-8-14)21-17(2,3)18-4/h4-12H,1-3H3.
What are the key properties of methylidyne-[2-[4-[(4-methylphenoxy)-oxidoamino]phenoxy]propan-2-yl]azanium?
methylidyne-[2-[4-[(4-methylphenoxy)-oxidoamino]phenoxy]propan-2-yl]azanium has a molecular weight of 298.34 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylidyne-[2-[4-[(4-methylphenoxy)-oxidoamino]phenoxy]propan-2-yl]azanium is sourced from PubChem (CID 163648047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).