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

C21H29N3O5 — CID 19038364

IUPACformamide;N-[[4-[3-[4-[(hydroxyamino)methyl]phenoxy]cyclohexyl]oxyphenyl]methyl]hydroxylamine
SMILESNC=O.ONCc1ccc(OC2CCCC(Oc3ccc(CNO)cc3)C2)cc1
InChIInChI=1S/C20H26N2O4.CH3NO/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;2-1-3/h4-11,19-24H,1-3,12-14H2;1H,(H2,2,3)
InChIKeyLNIRETOPWHOTIU-UHFFFAOYSA-N
MW403.48 g/mol
LogP2.51
Rot. Bonds8

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

formamide;N-[[4-[3-[4-[(hydroxyamino)methyl]phenoxy]cyclohexyl]oxyphenyl]methyl]hydroxylamine (PubChem CID 19038364) has the molecular formula C21H29N3O5 and a molecular weight of 403.48 g/mol. Its IUPAC name is formamide;N-[[4-[3-[4-[(hydroxyamino)methyl]phenoxy]cyclohexyl]oxyphenyl]methyl]hydroxylamine.

Molecular Properties

Compound Nameformamide;N-[[4-[3-[4-[(hydroxyamino)methyl]phenoxy]cyclohexyl]oxyphenyl]methyl]hydroxylamine
PubChem CID19038364
Molecular FormulaC21H29N3O5
Molecular Weight403.48 g/mol
Exact Mass403.21
IUPAC Nameformamide;N-[[4-[3-[4-[(hydroxyamino)methyl]phenoxy]cyclohexyl]oxyphenyl]methyl]hydroxylamine
SMILESNC=O.ONCc1ccc(OC2CCCC(Oc3ccc(CNO)cc3)C2)cc1
InChIInChI=1S/C20H26N2O4.CH3NO/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;2-1-3/h4-11,19-24H,1-3,12-14H2;1H,(H2,2,3)
InChIKeyLNIRETOPWHOTIU-UHFFFAOYSA-N
XLogP2.51
TPSA126.07 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 52.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[3-[4-[(hydroxyamino)methyl]phenoxy]cyclohexyl]oxyphenyl]methyl]hydroxylamine
CID 19038365
[4-[3-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol
CID 118229827
2-amino-N-[(4-cyclopentyloxyphenyl)methyl]acetamide
CID 96676286
N-[(4-cyclopentyloxyphenyl)methyl]cyclopropanamine
CID 39248013
N-[(4-cyclopentyloxyphenyl)methyl]cyclopentanamine
CID 39360486
N-[(4-cyclopentyloxyphenyl)methyl]cyclohexanamine
CID 39372881
1-[(4-cyclopentyloxyphenyl)methylamino]propan-2-ol
CID 112513393
3-amino-N-[(4-cyclohexyloxyphenyl)methyl]propanamide
CID 119312788
2-(4-cyclopentyloxyphenyl)acetamide
CID 82493829
1-[4-(3-methoxycyclohexyl)oxyphenyl]propan-2-one
CID 115495273
3-(4-cyclopentyloxyphenyl)propanehydrazide
CID 164513639
4-cyclopentyloxybenzaldehyde
CID 3152724

Frequently Asked Questions

What is the IUPAC name of formamide;N-[[4-[3-[4-[(hydroxyamino)methyl]phenoxy]cyclohexyl]oxyphenyl]methyl]hydroxylamine?
The IUPAC name of formamide;N-[[4-[3-[4-[(hydroxyamino)methyl]phenoxy]cyclohexyl]oxyphenyl]methyl]hydroxylamine (CID 19038364) is formamide;N-[[4-[3-[4-[(hydroxyamino)methyl]phenoxy]cyclohexyl]oxyphenyl]methyl]hydroxylamine.
What is the SMILES notation for formamide;N-[[4-[3-[4-[(hydroxyamino)methyl]phenoxy]cyclohexyl]oxyphenyl]methyl]hydroxylamine?
The canonical SMILES for formamide;N-[[4-[3-[4-[(hydroxyamino)methyl]phenoxy]cyclohexyl]oxyphenyl]methyl]hydroxylamine is NC=O.ONCc1ccc(OC2CCCC(Oc3ccc(CNO)cc3)C2)cc1.
What is the InChIKey of formamide;N-[[4-[3-[4-[(hydroxyamino)methyl]phenoxy]cyclohexyl]oxyphenyl]methyl]hydroxylamine?
The InChIKey is LNIRETOPWHOTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4.CH3NO/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;2-1-3/h4-11,19-24H,1-3,12-14H2;1H,(H2,2,3).
What are the key properties of formamide;N-[[4-[3-[4-[(hydroxyamino)methyl]phenoxy]cyclohexyl]oxyphenyl]methyl]hydroxylamine?
formamide;N-[[4-[3-[4-[(hydroxyamino)methyl]phenoxy]cyclohexyl]oxyphenyl]methyl]hydroxylamine has a molecular weight of 403.48 g/mol, XLogP of 2.51, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;N-[[4-[3-[4-[(hydroxyamino)methyl]phenoxy]cyclohexyl]oxyphenyl]methyl]hydroxylamine is sourced from PubChem (CID 19038364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).