3-phenyl-N-propan-2-yl-2,4,4-tri(propan-2-yloxy)cyclobut-2-en-1-imine

C22H33NO3 — CID 11279854

IUPAC3-phenyl-N-propan-2-yl-2,4,4-tri(propan-2-yloxy)cyclobut-2-en-1-imine
SMILESCC(C)/N=C1\C(OC(C)C)=C(c2ccccc2)C1(OC(C)C)OC(C)C
InChIInChI=1S/C22H33NO3/c1-14(2)23-21-20(24-15(3)4)19(18-12-10-9-11-13-18)22(21,25-16(5)6)26-17(7)8/h9-17H,1-8H3/b23-21+
InChIKeyLJNUOIYIMYGUAR-XTQSDGFTSA-N
MW359.51 g/mol
LogP5.23
Rot. Bonds8

About 3-phenyl-N-propan-2-yl-2,4,4-tri(propan-2-yloxy)cyclobut-2-en-1-imine

3-phenyl-N-propan-2-yl-2,4,4-tri(propan-2-yloxy)cyclobut-2-en-1-imine (PubChem CID 11279854) has the molecular formula C22H33NO3 and a molecular weight of 359.51 g/mol. Its IUPAC name is 3-phenyl-N-propan-2-yl-2,4,4-tri(propan-2-yloxy)cyclobut-2-en-1-imine.

Molecular Properties

Compound Name3-phenyl-N-propan-2-yl-2,4,4-tri(propan-2-yloxy)cyclobut-2-en-1-imine
PubChem CID11279854
Molecular FormulaC22H33NO3
Molecular Weight359.51 g/mol
Exact Mass359.25
IUPAC Name3-phenyl-N-propan-2-yl-2,4,4-tri(propan-2-yloxy)cyclobut-2-en-1-imine
SMILESCC(C)/N=C1\C(OC(C)C)=C(c2ccccc2)C1(OC(C)C)OC(C)C
InChIInChI=1S/C22H33NO3/c1-14(2)23-21-20(24-15(3)4)19(18-12-10-9-11-13-18)22(21,25-16(5)6)26-17(7)8/h9-17H,1-8H3/b23-21+
InChIKeyLJNUOIYIMYGUAR-XTQSDGFTSA-N
XLogP5.23
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.51
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,2,4,4-tetrachloro-3-phenyl-N-propan-2-ylcyclobutan-1-imine
CID 11438744
[3-phenyl-2,4-di(propan-2-yloxy)phenyl]phosphane
CID 167595135
1-methyl-3-phenyl-2-propan-2-yloxybenzene
CID 101215172
1-phenyl-4-propan-2-yloxyphthalazine
CID 2836685
5,6-diphenyl-3-propan-2-yloxy-1,2,4-triazine
CID 3053062
2-methyl-2,4-diphenyl-5-propan-2-yloxyimidazole
CID 110192115
propan-2-yl formate;propan-2-yloxybenzene
CID 175545424
2,4-dimethyl-N-phenylpentan-3-imine
CID 14316363
benzene;1,1'-biphenyl;ethane
CID 158550617
trifluoro-(2-propan-2-yloxyphenyl)boranuide
CID 63677239
N-phenyl-1-(3-phenyl-2-propan-2-yloxyphenyl)methanimine
CID 71137440
4-butan-2-yl-4-hydroxy-2-phenyl-3-propan-2-yloxycyclobut-2-en-1-one
CID 10061911

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-propan-2-yl-2,4,4-tri(propan-2-yloxy)cyclobut-2-en-1-imine?
The IUPAC name of 3-phenyl-N-propan-2-yl-2,4,4-tri(propan-2-yloxy)cyclobut-2-en-1-imine (CID 11279854) is 3-phenyl-N-propan-2-yl-2,4,4-tri(propan-2-yloxy)cyclobut-2-en-1-imine.
What is the SMILES notation for 3-phenyl-N-propan-2-yl-2,4,4-tri(propan-2-yloxy)cyclobut-2-en-1-imine?
The canonical SMILES for 3-phenyl-N-propan-2-yl-2,4,4-tri(propan-2-yloxy)cyclobut-2-en-1-imine is CC(C)/N=C1\C(OC(C)C)=C(c2ccccc2)C1(OC(C)C)OC(C)C.
What is the InChIKey of 3-phenyl-N-propan-2-yl-2,4,4-tri(propan-2-yloxy)cyclobut-2-en-1-imine?
The InChIKey is LJNUOIYIMYGUAR-XTQSDGFTSA-N. The full InChI is InChI=1S/C22H33NO3/c1-14(2)23-21-20(24-15(3)4)19(18-12-10-9-11-13-18)22(21,25-16(5)6)26-17(7)8/h9-17H,1-8H3/b23-21+.
What are the key properties of 3-phenyl-N-propan-2-yl-2,4,4-tri(propan-2-yloxy)cyclobut-2-en-1-imine?
3-phenyl-N-propan-2-yl-2,4,4-tri(propan-2-yloxy)cyclobut-2-en-1-imine has a molecular weight of 359.51 g/mol, XLogP of 5.23, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-propan-2-yl-2,4,4-tri(propan-2-yloxy)cyclobut-2-en-1-imine is sourced from PubChem (CID 11279854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).