N-hydroxyformamide;N-octoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-imine

C24H32N2O3 — CID 143892259

IUPACN-hydroxyformamide;N-octoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-imine
SMILESCCCCCCCCON=C1c2ccccc2CCc2ccccc21.O=CNO
InChIInChI=1S/C23H29NO.CH3NO2/c1-2-3-4-5-6-11-18-25-24-23-21-14-9-7-12-19(21)16-17-20-13-8-10-15-22(20)23;3-1-2-4/h7-10,12-15H,2-6,11,16-18H2,1H3;1,4H,(H,2,3)
InChIKeyYRPXWMXHRHEBCN-UHFFFAOYSA-N
MW396.53 g/mol
LogP5.04
Rot. Bonds9

About N-hydroxyformamide;N-octoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-imine

N-hydroxyformamide;N-octoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-imine (PubChem CID 143892259) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-hydroxyformamide;N-octoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-imine.

Molecular Properties

Compound NameN-hydroxyformamide;N-octoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-imine
PubChem CID143892259
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC NameN-hydroxyformamide;N-octoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-imine
SMILESCCCCCCCCON=C1c2ccccc2CCc2ccccc21.O=CNO
InChIInChI=1S/C23H29NO.CH3NO2/c1-2-3-4-5-6-11-18-25-24-23-21-14-9-7-12-19(21)16-17-20-13-8-10-15-22(20)23;3-1-2-4/h7-10,12-15H,2-6,11,16-18H2,1H3;1,4H,(H,2,3)
InChIKeyYRPXWMXHRHEBCN-UHFFFAOYSA-N
XLogP5.04
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', '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-hydroxy-9-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)oxynonan-2-one
CID 58388715
[1-(2-hexoxycarbonyloxy-3,4-dihydronaphthalen-1-yl)-3,4-dihydronaphthalen-2-yl] hexyl carbonate
CID 139758653
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)heptanamide
CID 4097852
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]octanamide
CID 6297520
2-pentoxy-9,10-dihydrophenanthrene
CID 143490734
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]hexanamide
CID 6031534
9H-fluorene;henicosane
CID 174789372
2-nonyl-3,4-dihydroisoquinolin-1-one
CID 104501189
2-nonoxyimino-1-phenylpropan-1-one
CID 150656295
4-butoxy-1,2-dihydronaphthalene
CID 123157654
2-(1-hydroxy-3-octadecoxypropan-2-yl)-3H-isoindol-1-one
CID 167021975
2-[(2S)-1-hydroxy-3-octadecoxypropan-2-yl]-3H-isoindol-1-one
CID 163260144

Frequently Asked Questions

What is the IUPAC name of N-hydroxyformamide;N-octoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-imine?
The IUPAC name of N-hydroxyformamide;N-octoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-imine (CID 143892259) is N-hydroxyformamide;N-octoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-imine.
What is the SMILES notation for N-hydroxyformamide;N-octoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-imine?
The canonical SMILES for N-hydroxyformamide;N-octoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-imine is CCCCCCCCON=C1c2ccccc2CCc2ccccc21.O=CNO.
What is the InChIKey of N-hydroxyformamide;N-octoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-imine?
The InChIKey is YRPXWMXHRHEBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO.CH3NO2/c1-2-3-4-5-6-11-18-25-24-23-21-14-9-7-12-19(21)16-17-20-13-8-10-15-22(20)23;3-1-2-4/h7-10,12-15H,2-6,11,16-18H2,1H3;1,4H,(H,2,3).
What are the key properties of N-hydroxyformamide;N-octoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-imine?
N-hydroxyformamide;N-octoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-imine has a molecular weight of 396.53 g/mol, XLogP of 5.04, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxyformamide;N-octoxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-imine is sourced from PubChem (CID 143892259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).