2-[[di(propan-2-yl)amino]methyl]-6-[3-[[di(propan-2-yl)amino]methyl]-4-hydroxy-5-prop-2-enylphenyl]-4-prop-2-enylphenol

C32H48N2O2 — CID 171352292

IUPAC2-[[di(propan-2-yl)amino]methyl]-6-[3-[[di(propan-2-yl)amino]methyl]-4-hydroxy-5-prop-2-enylphenyl]-4-prop-2-enylphenol
SMILESC=CCc1cc(CN(C(C)C)C(C)C)c(O)c(-c2cc(CC=C)c(O)c(CN(C(C)C)C(C)C)c2)c1
InChIInChI=1S/C32H48N2O2/c1-11-13-25-15-28(19-33(21(3)4)22(5)6)32(36)30(16-25)27-17-26(14-12-2)31(35)29(18-27)20-34(23(7)8)24(9)10/h11-12,15-18,21-24,35-36H,1-2,13-14,19-20H2,3-10H3
InChIKeyOKPXGQZVAMJWNF-UHFFFAOYSA-N
MW492.75 g/mol
LogP7.46
Rot. Bonds13

About 2-[[di(propan-2-yl)amino]methyl]-6-[3-[[di(propan-2-yl)amino]methyl]-4-hydroxy-5-prop-2-enylphenyl]-4-prop-2-enylphenol

2-[[di(propan-2-yl)amino]methyl]-6-[3-[[di(propan-2-yl)amino]methyl]-4-hydroxy-5-prop-2-enylphenyl]-4-prop-2-enylphenol (PubChem CID 171352292) has the molecular formula C32H48N2O2 and a molecular weight of 492.75 g/mol. Its IUPAC name is 2-[[di(propan-2-yl)amino]methyl]-6-[3-[[di(propan-2-yl)amino]methyl]-4-hydroxy-5-prop-2-enylphenyl]-4-prop-2-enylphenol.

Molecular Properties

Compound Name2-[[di(propan-2-yl)amino]methyl]-6-[3-[[di(propan-2-yl)amino]methyl]-4-hydroxy-5-prop-2-enylphenyl]-4-prop-2-enylphenol
PubChem CID171352292
Molecular FormulaC32H48N2O2
Molecular Weight492.75 g/mol
Exact Mass492.37
IUPAC Name2-[[di(propan-2-yl)amino]methyl]-6-[3-[[di(propan-2-yl)amino]methyl]-4-hydroxy-5-prop-2-enylphenyl]-4-prop-2-enylphenol
SMILESC=CCc1cc(CN(C(C)C)C(C)C)c(O)c(-c2cc(CC=C)c(O)c(CN(C(C)C)C(C)C)c2)c1
InChIInChI=1S/C32H48N2O2/c1-11-13-25-15-28(19-33(21(3)4)22(5)6)32(36)30(16-25)27-17-26(14-12-2)31(35)29(18-27)20-34(23(7)8)24(9)10/h11-12,15-18,21-24,35-36H,1-2,13-14,19-20H2,3-10H3
InChIKeyOKPXGQZVAMJWNF-UHFFFAOYSA-N
XLogP7.46
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.75
LogP ≤ 57.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[bis(2-methylpropyl)amino]methyl]-6-(2-hydroxy-5-prop-2-enylphenyl)-4-prop-2-enylphenol
CID 171348933
2-(diethylaminomethyl)-4-[3-(diethylaminomethyl)-4-hydroxy-5-prop-2-enylphenyl]-6-prop-2-enylphenol;tetrahydrochloride
CID 23616897
3-prop-2-enoxyprop-1-ene;2,4,6-tris(prop-2-enyl)phenol
CID 67855244
4-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]-2-methyl-5-propan-2-ylphenol
CID 138664597
2-[4-amino-3,5-bis(prop-2-enyl)phenyl]-4,6-bis(prop-2-enyl)aniline
CID 174853050
4-[2,4,6-tris(prop-2-enyl)phenyl]phenol
CID 70152198
4-[[3,5-bis[[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]methyl]phenyl]methyl]-2,6-bis(prop-2-enyl)phenol
CID 67817993
4-(hydroxymethyl)-2,6-bis(prop-2-enyl)phenol
CID 67498252
2,6-bis(prop-2-enyl)-4-propylphenol
CID 67656083
4-(chloromethyl)-2,6-bis(prop-2-enyl)phenol
CID 70573204
2,6-bis(ethylsulfanylmethyl)-4-prop-2-enylphenol
CID 22065451
2-hydroxy-3,5-bis(prop-2-enyl)benzaldehyde
CID 25137677

Frequently Asked Questions

What is the IUPAC name of 2-[[di(propan-2-yl)amino]methyl]-6-[3-[[di(propan-2-yl)amino]methyl]-4-hydroxy-5-prop-2-enylphenyl]-4-prop-2-enylphenol?
The IUPAC name of 2-[[di(propan-2-yl)amino]methyl]-6-[3-[[di(propan-2-yl)amino]methyl]-4-hydroxy-5-prop-2-enylphenyl]-4-prop-2-enylphenol (CID 171352292) is 2-[[di(propan-2-yl)amino]methyl]-6-[3-[[di(propan-2-yl)amino]methyl]-4-hydroxy-5-prop-2-enylphenyl]-4-prop-2-enylphenol.
What is the SMILES notation for 2-[[di(propan-2-yl)amino]methyl]-6-[3-[[di(propan-2-yl)amino]methyl]-4-hydroxy-5-prop-2-enylphenyl]-4-prop-2-enylphenol?
The canonical SMILES for 2-[[di(propan-2-yl)amino]methyl]-6-[3-[[di(propan-2-yl)amino]methyl]-4-hydroxy-5-prop-2-enylphenyl]-4-prop-2-enylphenol is C=CCc1cc(CN(C(C)C)C(C)C)c(O)c(-c2cc(CC=C)c(O)c(CN(C(C)C)C(C)C)c2)c1.
What is the InChIKey of 2-[[di(propan-2-yl)amino]methyl]-6-[3-[[di(propan-2-yl)amino]methyl]-4-hydroxy-5-prop-2-enylphenyl]-4-prop-2-enylphenol?
The InChIKey is OKPXGQZVAMJWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48N2O2/c1-11-13-25-15-28(19-33(21(3)4)22(5)6)32(36)30(16-25)27-17-26(14-12-2)31(35)29(18-27)20-34(23(7)8)24(9)10/h11-12,15-18,21-24,35-36H,1-2,13-14,19-20H2,3-10H3.
What are the key properties of 2-[[di(propan-2-yl)amino]methyl]-6-[3-[[di(propan-2-yl)amino]methyl]-4-hydroxy-5-prop-2-enylphenyl]-4-prop-2-enylphenol?
2-[[di(propan-2-yl)amino]methyl]-6-[3-[[di(propan-2-yl)amino]methyl]-4-hydroxy-5-prop-2-enylphenyl]-4-prop-2-enylphenol has a molecular weight of 492.75 g/mol, XLogP of 7.46, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[di(propan-2-yl)amino]methyl]-6-[3-[[di(propan-2-yl)amino]methyl]-4-hydroxy-5-prop-2-enylphenyl]-4-prop-2-enylphenol is sourced from PubChem (CID 171352292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).