3-(3-butyl-4-hydroxyphenyl)-N-[(4-hydroxyphenyl)methyl]propanamide

C20H25NO3 — CID 131978412

IUPAC3-(3-butyl-4-hydroxyphenyl)-N-[(4-hydroxyphenyl)methyl]propanamide
SMILESCCCCc1cc(CCC(=O)NCc2ccc(O)cc2)ccc1O
InChIInChI=1S/C20H25NO3/c1-2-3-4-17-13-15(7-11-19(17)23)8-12-20(24)21-14-16-5-9-18(22)10-6-16/h5-7,9-11,13,22-23H,2-4,8,12,14H2,1H3,(H,21,24)
InChIKeyHFEOUOULYYVSRA-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.69
Rot. Bonds8

About 3-(3-butyl-4-hydroxyphenyl)-N-[(4-hydroxyphenyl)methyl]propanamide

3-(3-butyl-4-hydroxyphenyl)-N-[(4-hydroxyphenyl)methyl]propanamide (PubChem CID 131978412) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 3-(3-butyl-4-hydroxyphenyl)-N-[(4-hydroxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-butyl-4-hydroxyphenyl)-N-[(4-hydroxyphenyl)methyl]propanamide
PubChem CID131978412
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name3-(3-butyl-4-hydroxyphenyl)-N-[(4-hydroxyphenyl)methyl]propanamide
SMILESCCCCc1cc(CCC(=O)NCc2ccc(O)cc2)ccc1O
InChIInChI=1S/C20H25NO3/c1-2-3-4-17-13-15(7-11-19(17)23)8-12-20(24)21-14-16-5-9-18(22)10-6-16/h5-7,9-11,13,22-23H,2-4,8,12,14H2,1H3,(H,21,24)
InChIKeyHFEOUOULYYVSRA-UHFFFAOYSA-N
XLogP3.69
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-ethyl-4-hydroxyphenyl)-N'-[3-(3-ethyl-4-hydroxyphenyl)propanoyl]propanehydrazide
CID 139673631
2-butyl-4-[(3-butyl-4-hydroxyphenyl)methyl]phenol
CID 121386327
2-butyl-4-(2-trimethylsilylethyl)phenol
CID 150413765
N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 115577590
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[(4-hydroxyphenyl)methyl]propanamide
CID 118527259
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
4-nonyl-2-pentylphenol
CID 86162849
N-[(4-cyanophenyl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 110483851
N-[(4-hydroxyphenyl)methyl]-2-(4-pentoxyphenyl)acetamide
CID 139995806
N-[2-(4-hydroxyphenyl)ethyl]hexanamide
CID 21446637
2-(2,5-dihydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 71715351
N-ethyl-3-[4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]propanamide
CID 173196459

Frequently Asked Questions

What is the IUPAC name of 3-(3-butyl-4-hydroxyphenyl)-N-[(4-hydroxyphenyl)methyl]propanamide?
The IUPAC name of 3-(3-butyl-4-hydroxyphenyl)-N-[(4-hydroxyphenyl)methyl]propanamide (CID 131978412) is 3-(3-butyl-4-hydroxyphenyl)-N-[(4-hydroxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(3-butyl-4-hydroxyphenyl)-N-[(4-hydroxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(3-butyl-4-hydroxyphenyl)-N-[(4-hydroxyphenyl)methyl]propanamide is CCCCc1cc(CCC(=O)NCc2ccc(O)cc2)ccc1O.
What is the InChIKey of 3-(3-butyl-4-hydroxyphenyl)-N-[(4-hydroxyphenyl)methyl]propanamide?
The InChIKey is HFEOUOULYYVSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-2-3-4-17-13-15(7-11-19(17)23)8-12-20(24)21-14-16-5-9-18(22)10-6-16/h5-7,9-11,13,22-23H,2-4,8,12,14H2,1H3,(H,21,24).
What are the key properties of 3-(3-butyl-4-hydroxyphenyl)-N-[(4-hydroxyphenyl)methyl]propanamide?
3-(3-butyl-4-hydroxyphenyl)-N-[(4-hydroxyphenyl)methyl]propanamide has a molecular weight of 327.42 g/mol, XLogP of 3.69, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butyl-4-hydroxyphenyl)-N-[(4-hydroxyphenyl)methyl]propanamide is sourced from PubChem (CID 131978412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).