2-(4-hydroxyphenoxy)-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]propanamide

C21H26N2O4 — CID 108539914

IUPAC2-(4-hydroxyphenoxy)-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]propanamide
SMILESCc1ccc(CCC(=O)NCCNC(=O)C(C)Oc2ccc(O)cc2)cc1
InChIInChI=1S/C21H26N2O4/c1-15-3-5-17(6-4-15)7-12-20(25)22-13-14-23-21(26)16(2)27-19-10-8-18(24)9-11-19/h3-6,8-11,16,24H,7,12-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyJSCZZDQJJYJHON-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.33
Rot. Bonds9

About 2-(4-hydroxyphenoxy)-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]propanamide

2-(4-hydroxyphenoxy)-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]propanamide (PubChem CID 108539914) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-(4-hydroxyphenoxy)-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]propanamide.

Molecular Properties

Compound Name2-(4-hydroxyphenoxy)-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]propanamide
PubChem CID108539914
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2-(4-hydroxyphenoxy)-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]propanamide
SMILESCc1ccc(CCC(=O)NCCNC(=O)C(C)Oc2ccc(O)cc2)cc1
InChIInChI=1S/C21H26N2O4/c1-15-3-5-17(6-4-15)7-12-20(25)22-13-14-23-21(26)16(2)27-19-10-8-18(24)9-11-19/h3-6,8-11,16,24H,7,12-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyJSCZZDQJJYJHON-UHFFFAOYSA-N
XLogP2.33
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032
2-(4-hydroxyphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide
CID 108571600
4-[2-(4-methylphenoxy)propanoylamino]butanamide
CID 56812745
2-(4-fluorophenoxy)-N'-[3-(4-fluorophenyl)propanoyl]propanehydrazide
CID 51195832
tert-butyl N-[2-[2-[2-(4-hydroxyphenoxy)propanoylamino]ethylamino]-2-oxoethyl]carbamate
CID 108537115
2-(4-methylphenoxy)-N-(2-methylpropyl)propanamide
CID 53282928
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 42892656
2-(4-methylphenoxy)-N-[(E)-pent-3-enyl]propanamide
CID 115627833
N-[2-(4-ethoxyphenyl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 174483925
2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide
CID 108572718
N-(3-chlorobutyl)-3-(4-methylphenyl)propanamide
CID 114301818
3-(4-hydroxyphenyl)-N-(4-methylpentyl)propanamide
CID 143274718

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenoxy)-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]propanamide?
The IUPAC name of 2-(4-hydroxyphenoxy)-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]propanamide (CID 108539914) is 2-(4-hydroxyphenoxy)-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]propanamide.
What is the SMILES notation for 2-(4-hydroxyphenoxy)-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]propanamide?
The canonical SMILES for 2-(4-hydroxyphenoxy)-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]propanamide is Cc1ccc(CCC(=O)NCCNC(=O)C(C)Oc2ccc(O)cc2)cc1.
What is the InChIKey of 2-(4-hydroxyphenoxy)-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]propanamide?
The InChIKey is JSCZZDQJJYJHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-15-3-5-17(6-4-15)7-12-20(25)22-13-14-23-21(26)16(2)27-19-10-8-18(24)9-11-19/h3-6,8-11,16,24H,7,12-14H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 2-(4-hydroxyphenoxy)-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]propanamide?
2-(4-hydroxyphenoxy)-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]propanamide has a molecular weight of 370.45 g/mol, XLogP of 2.33, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenoxy)-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]propanamide is sourced from PubChem (CID 108539914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).