N-[[4-[3-[4-[(hydroxyamino)methyl]phenoxy]cyclohexyl]oxyphenyl]methyl]hydroxylamine

C20H26N2O4 — CID 19038365

IUPACN-[[4-[3-[4-[(hydroxyamino)methyl]phenoxy]cyclohexyl]oxyphenyl]methyl]hydroxylamine
SMILESONCc1ccc(OC2CCCC(Oc3ccc(CNO)cc3)C2)cc1
InChIInChI=1S/C20H26N2O4/c23-21-13-15-4-8-17(9-5-15)25-19-2-1-3-20(12-19)26-18-10-6-16(7-11-18)14-22-24/h4-11,19-24H,1-3,12-14H2
InChIKeyJJBOKFSLAKMFMI-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.41
Rot. Bonds8

About N-[[4-[3-[4-[(hydroxyamino)methyl]phenoxy]cyclohexyl]oxyphenyl]methyl]hydroxylamine

N-[[4-[3-[4-[(hydroxyamino)methyl]phenoxy]cyclohexyl]oxyphenyl]methyl]hydroxylamine (PubChem CID 19038365) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[[4-[3-[4-[(hydroxyamino)methyl]phenoxy]cyclohexyl]oxyphenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[4-[3-[4-[(hydroxyamino)methyl]phenoxy]cyclohexyl]oxyphenyl]methyl]hydroxylamine
PubChem CID19038365
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC NameN-[[4-[3-[4-[(hydroxyamino)methyl]phenoxy]cyclohexyl]oxyphenyl]methyl]hydroxylamine
SMILESONCc1ccc(OC2CCCC(Oc3ccc(CNO)cc3)C2)cc1
InChIInChI=1S/C20H26N2O4/c23-21-13-15-4-8-17(9-5-15)25-19-2-1-3-20(12-19)26-18-10-6-16(7-11-18)14-22-24/h4-11,19-24H,1-3,12-14H2
InChIKeyJJBOKFSLAKMFMI-UHFFFAOYSA-N
XLogP3.41
TPSA82.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

formamide;N-[[4-[3-[4-[(hydroxyamino)methyl]phenoxy]cyclohexyl]oxyphenyl]methyl]hydroxylamine
CID 19038364
[4-[3-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol
CID 118229827
N-[(4-cyclopentyloxyphenyl)methyl]cyclopropanamine
CID 39248013
N-[(4-cyclopentyloxyphenyl)methyl]cyclopentanamine
CID 39360486
N-[(4-cyclopentyloxyphenyl)methyl]cyclohexanamine
CID 39372881
2-amino-N-[(4-cyclopentyloxyphenyl)methyl]acetamide
CID 96676286
1-[(4-cyclopentyloxyphenyl)methylamino]propan-2-ol
CID 112513393
1-[4-(3-methoxycyclohexyl)oxyphenyl]propan-2-one
CID 115495273
3-(4-benzylphenoxy)cyclohexan-1-ol
CID 79599479
2-[4-(3-methylcyclohexyl)oxyphenyl]ethanol
CID 107709492
[4-[4-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol
CID 118229832
3-amino-N-[(4-cyclohexyloxyphenyl)methyl]propanamide
CID 119312788

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-[4-[(hydroxyamino)methyl]phenoxy]cyclohexyl]oxyphenyl]methyl]hydroxylamine?
The IUPAC name of N-[[4-[3-[4-[(hydroxyamino)methyl]phenoxy]cyclohexyl]oxyphenyl]methyl]hydroxylamine (CID 19038365) is N-[[4-[3-[4-[(hydroxyamino)methyl]phenoxy]cyclohexyl]oxyphenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[4-[3-[4-[(hydroxyamino)methyl]phenoxy]cyclohexyl]oxyphenyl]methyl]hydroxylamine?
The canonical SMILES for N-[[4-[3-[4-[(hydroxyamino)methyl]phenoxy]cyclohexyl]oxyphenyl]methyl]hydroxylamine is ONCc1ccc(OC2CCCC(Oc3ccc(CNO)cc3)C2)cc1.
What is the InChIKey of N-[[4-[3-[4-[(hydroxyamino)methyl]phenoxy]cyclohexyl]oxyphenyl]methyl]hydroxylamine?
The InChIKey is JJBOKFSLAKMFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c23-21-13-15-4-8-17(9-5-15)25-19-2-1-3-20(12-19)26-18-10-6-16(7-11-18)14-22-24/h4-11,19-24H,1-3,12-14H2.
What are the key properties of N-[[4-[3-[4-[(hydroxyamino)methyl]phenoxy]cyclohexyl]oxyphenyl]methyl]hydroxylamine?
N-[[4-[3-[4-[(hydroxyamino)methyl]phenoxy]cyclohexyl]oxyphenyl]methyl]hydroxylamine has a molecular weight of 358.44 g/mol, XLogP of 3.41, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-[4-[(hydroxyamino)methyl]phenoxy]cyclohexyl]oxyphenyl]methyl]hydroxylamine is sourced from PubChem (CID 19038365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).