3-(3-ethyl-4-hydroxyphenyl)-N'-[3-(3-ethyl-4-hydroxyphenyl)propanoyl]propanehydrazide

C22H28N2O4 — CID 139673631

IUPAC3-(3-ethyl-4-hydroxyphenyl)-N'-[3-(3-ethyl-4-hydroxyphenyl)propanoyl]propanehydrazide
SMILESCCc1cc(CCC(=O)NNC(=O)CCc2ccc(O)c(CC)c2)ccc1O
InChIInChI=1S/C22H28N2O4/c1-3-17-13-15(5-9-19(17)25)7-11-21(27)23-24-22(28)12-8-16-6-10-20(26)18(4-2)14-16/h5-6,9-10,13-14,25-26H,3-4,7-8,11-12H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyBNXHDQMMXHPPML-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.94
Rot. Bonds8

About 3-(3-ethyl-4-hydroxyphenyl)-N'-[3-(3-ethyl-4-hydroxyphenyl)propanoyl]propanehydrazide

3-(3-ethyl-4-hydroxyphenyl)-N'-[3-(3-ethyl-4-hydroxyphenyl)propanoyl]propanehydrazide (PubChem CID 139673631) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-(3-ethyl-4-hydroxyphenyl)-N'-[3-(3-ethyl-4-hydroxyphenyl)propanoyl]propanehydrazide.

Molecular Properties

Compound Name3-(3-ethyl-4-hydroxyphenyl)-N'-[3-(3-ethyl-4-hydroxyphenyl)propanoyl]propanehydrazide
PubChem CID139673631
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name3-(3-ethyl-4-hydroxyphenyl)-N'-[3-(3-ethyl-4-hydroxyphenyl)propanoyl]propanehydrazide
SMILESCCc1cc(CCC(=O)NNC(=O)CCc2ccc(O)c(CC)c2)ccc1O
InChIInChI=1S/C22H28N2O4/c1-3-17-13-15(5-9-19(17)25)7-11-21(27)23-24-22(28)12-8-16-6-10-20(26)18(4-2)14-16/h5-6,9-10,13-14,25-26H,3-4,7-8,11-12H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyBNXHDQMMXHPPML-UHFFFAOYSA-N
XLogP2.94
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3-butyl-4-hydroxyphenyl)-N-[(4-hydroxyphenyl)methyl]propanamide
CID 131978412
2-ethyl-4-heptylphenol
CID 58289223
3-(3,4-dihydroxyphenyl)-N-methylpropanamide
CID 15132211
3-[3-[[carboxymethyl-[2-[carboxymethyl-[[2-hydroxy-5-[3-(methylamino)-3-oxopropyl]phenyl]methyl]amino]ethyl]amino]methyl]-4-hydroxyphenyl]propanoic acid
CID 129093134
6-[4-hydroxy-3-(hydroxymethyl)phenyl]hexane-2,4-dione
CID 58252619
3-(3,4-dihydroxyphenyl)propanehydrazide
CID 3746537
1-(4-bromophenyl)-3-[3-(3,4-dihydroxyphenyl)propanoylamino]urea
CID 17388380
3-[4-hydroxy-3-(3-methylbutyl)phenyl]propanoic acid
CID 10799814
1-(3,4-dihydroxyphenyl)pentan-3-one
CID 145234678
3-(3,4-dihydroxyphenyl)-N-prop-1-enylpropanamide
CID 175463692
2-ethyl-5-[2-(4-ethyl-3-hydroxyphenyl)ethyl]phenol
CID 138634865
5-butyl-N'-[3-[3-[2-(5-butyl-2-hydroxybenzoyl)hydrazinyl]-3-oxopropyl]sulfanylpropanoyl]-2-hydroxybenzohydrazide
CID 101311019

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-4-hydroxyphenyl)-N'-[3-(3-ethyl-4-hydroxyphenyl)propanoyl]propanehydrazide?
The IUPAC name of 3-(3-ethyl-4-hydroxyphenyl)-N'-[3-(3-ethyl-4-hydroxyphenyl)propanoyl]propanehydrazide (CID 139673631) is 3-(3-ethyl-4-hydroxyphenyl)-N'-[3-(3-ethyl-4-hydroxyphenyl)propanoyl]propanehydrazide.
What is the SMILES notation for 3-(3-ethyl-4-hydroxyphenyl)-N'-[3-(3-ethyl-4-hydroxyphenyl)propanoyl]propanehydrazide?
The canonical SMILES for 3-(3-ethyl-4-hydroxyphenyl)-N'-[3-(3-ethyl-4-hydroxyphenyl)propanoyl]propanehydrazide is CCc1cc(CCC(=O)NNC(=O)CCc2ccc(O)c(CC)c2)ccc1O.
What is the InChIKey of 3-(3-ethyl-4-hydroxyphenyl)-N'-[3-(3-ethyl-4-hydroxyphenyl)propanoyl]propanehydrazide?
The InChIKey is BNXHDQMMXHPPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-3-17-13-15(5-9-19(17)25)7-11-21(27)23-24-22(28)12-8-16-6-10-20(26)18(4-2)14-16/h5-6,9-10,13-14,25-26H,3-4,7-8,11-12H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of 3-(3-ethyl-4-hydroxyphenyl)-N'-[3-(3-ethyl-4-hydroxyphenyl)propanoyl]propanehydrazide?
3-(3-ethyl-4-hydroxyphenyl)-N'-[3-(3-ethyl-4-hydroxyphenyl)propanoyl]propanehydrazide has a molecular weight of 384.48 g/mol, XLogP of 2.94, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-4-hydroxyphenyl)-N'-[3-(3-ethyl-4-hydroxyphenyl)propanoyl]propanehydrazide is sourced from PubChem (CID 139673631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).