3-(3-tert-butyl-4-hydroxy-5-prop-1-en-2-ylphenyl)-N-[3,5-dimethyl-4-(4-methylpentan-2-yloxy)phenyl]propanamide

C30H43NO3 — CID 87436228

IUPAC3-(3-tert-butyl-4-hydroxy-5-prop-1-en-2-ylphenyl)-N-[3,5-dimethyl-4-(4-methylpentan-2-yloxy)phenyl]propanamide
SMILESC=C(C)c1cc(CCC(=O)Nc2cc(C)c(OC(C)CC(C)C)c(C)c2)cc(C(C)(C)C)c1O
InChIInChI=1S/C30H43NO3/c1-18(2)13-22(7)34-29-20(5)14-24(15-21(29)6)31-27(32)12-11-23-16-25(19(3)4)28(33)26(17-23)30(8,9)10/h14-18,22,33H,3,11-13H2,1-2,4-10H3,(H,31,32)
InChIKeyLMCFVHWEBQWZPM-UHFFFAOYSA-N
MW465.68 g/mol
LogP7.72
Rot. Bonds9

About 3-(3-tert-butyl-4-hydroxy-5-prop-1-en-2-ylphenyl)-N-[3,5-dimethyl-4-(4-methylpentan-2-yloxy)phenyl]propanamide

3-(3-tert-butyl-4-hydroxy-5-prop-1-en-2-ylphenyl)-N-[3,5-dimethyl-4-(4-methylpentan-2-yloxy)phenyl]propanamide (PubChem CID 87436228) has the molecular formula C30H43NO3 and a molecular weight of 465.68 g/mol. Its IUPAC name is 3-(3-tert-butyl-4-hydroxy-5-prop-1-en-2-ylphenyl)-N-[3,5-dimethyl-4-(4-methylpentan-2-yloxy)phenyl]propanamide.

Molecular Properties

Compound Name3-(3-tert-butyl-4-hydroxy-5-prop-1-en-2-ylphenyl)-N-[3,5-dimethyl-4-(4-methylpentan-2-yloxy)phenyl]propanamide
PubChem CID87436228
Molecular FormulaC30H43NO3
Molecular Weight465.68 g/mol
Exact Mass465.32
IUPAC Name3-(3-tert-butyl-4-hydroxy-5-prop-1-en-2-ylphenyl)-N-[3,5-dimethyl-4-(4-methylpentan-2-yloxy)phenyl]propanamide
SMILESC=C(C)c1cc(CCC(=O)Nc2cc(C)c(OC(C)CC(C)C)c(C)c2)cc(C(C)(C)C)c1O
InChIInChI=1S/C30H43NO3/c1-18(2)13-22(7)34-29-20(5)14-24(15-21(29)6)31-27(32)12-11-23-16-25(19(3)4)28(33)26(17-23)30(8,9)10/h14-18,22,33H,3,11-13H2,1-2,4-10H3,(H,31,32)
InChIKeyLMCFVHWEBQWZPM-UHFFFAOYSA-N
XLogP7.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.68
LogP ≤ 57.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3-tert-butyl-4-hydroxy-5-prop-1-en-2-ylphenyl)-N-[3,5-dimethyl-4-(4-methylpentan-2-yloxy)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3-tert-butyl-4-hydroxy-5-prop-1-en-2-ylphenyl)propanoate
CID 88894568
3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide
CID 20728649
N-[3-[[2-decoxy-5-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-3-methylphenyl]methyl]-4-hydroxyphenyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanamide
CID 143303161
N'-acetyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)propanehydrazide
CID 741717
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-4,6-dimethylheptan-2-yl]propanamide
CID 166065299
3-(3,5-ditert-butyl-4-methylphenyl)-N-(4-hydroxy-3-methylphenyl)propanamide
CID 58729892
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[4-(2-hydroxypropoxy)phenyl]propanamide
CID 143450502
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[3-[[3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-5-prop-1-en-2-ylphenyl]methyl]-4-hydroxyphenyl]propanamide
CID 89079945
2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]propanoic acid
CID 175098384
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[4-[4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-3-methylphenyl]-2-methylphenyl]propanamide
CID 59265267
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[8-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]octyl]propanamide
CID 23337168
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]phenyl]propanamide
CID 18941460

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-4-hydroxy-5-prop-1-en-2-ylphenyl)-N-[3,5-dimethyl-4-(4-methylpentan-2-yloxy)phenyl]propanamide?
The IUPAC name of 3-(3-tert-butyl-4-hydroxy-5-prop-1-en-2-ylphenyl)-N-[3,5-dimethyl-4-(4-methylpentan-2-yloxy)phenyl]propanamide (CID 87436228) is 3-(3-tert-butyl-4-hydroxy-5-prop-1-en-2-ylphenyl)-N-[3,5-dimethyl-4-(4-methylpentan-2-yloxy)phenyl]propanamide.
What is the SMILES notation for 3-(3-tert-butyl-4-hydroxy-5-prop-1-en-2-ylphenyl)-N-[3,5-dimethyl-4-(4-methylpentan-2-yloxy)phenyl]propanamide?
The canonical SMILES for 3-(3-tert-butyl-4-hydroxy-5-prop-1-en-2-ylphenyl)-N-[3,5-dimethyl-4-(4-methylpentan-2-yloxy)phenyl]propanamide is C=C(C)c1cc(CCC(=O)Nc2cc(C)c(OC(C)CC(C)C)c(C)c2)cc(C(C)(C)C)c1O.
What is the InChIKey of 3-(3-tert-butyl-4-hydroxy-5-prop-1-en-2-ylphenyl)-N-[3,5-dimethyl-4-(4-methylpentan-2-yloxy)phenyl]propanamide?
The InChIKey is LMCFVHWEBQWZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43NO3/c1-18(2)13-22(7)34-29-20(5)14-24(15-21(29)6)31-27(32)12-11-23-16-25(19(3)4)28(33)26(17-23)30(8,9)10/h14-18,22,33H,3,11-13H2,1-2,4-10H3,(H,31,32).
What are the key properties of 3-(3-tert-butyl-4-hydroxy-5-prop-1-en-2-ylphenyl)-N-[3,5-dimethyl-4-(4-methylpentan-2-yloxy)phenyl]propanamide?
3-(3-tert-butyl-4-hydroxy-5-prop-1-en-2-ylphenyl)-N-[3,5-dimethyl-4-(4-methylpentan-2-yloxy)phenyl]propanamide has a molecular weight of 465.68 g/mol, XLogP of 7.72, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-4-hydroxy-5-prop-1-en-2-ylphenyl)-N-[3,5-dimethyl-4-(4-methylpentan-2-yloxy)phenyl]propanamide is sourced from PubChem (CID 87436228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).