N-[5-(4-acetamido-2,6-dimethylphenoxy)-2-hydroxyphenyl]-2-propylpentanamide

C24H32N2O4 — CID 59041729

IUPACN-[5-(4-acetamido-2,6-dimethylphenoxy)-2-hydroxyphenyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1cc(Oc2c(C)cc(NC(C)=O)cc2C)ccc1O
InChIInChI=1S/C24H32N2O4/c1-6-8-18(9-7-2)24(29)26-21-14-20(10-11-22(21)28)30-23-15(3)12-19(13-16(23)4)25-17(5)27/h10-14,18,28H,6-9H2,1-5H3,(H,25,27)(H,26,29)
InChIKeyNSOVMRRLDWEVIK-UHFFFAOYSA-N
MW412.53 g/mol
LogP5.91
Rot. Bonds9

About N-[5-(4-acetamido-2,6-dimethylphenoxy)-2-hydroxyphenyl]-2-propylpentanamide

N-[5-(4-acetamido-2,6-dimethylphenoxy)-2-hydroxyphenyl]-2-propylpentanamide (PubChem CID 59041729) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-[5-(4-acetamido-2,6-dimethylphenoxy)-2-hydroxyphenyl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[5-(4-acetamido-2,6-dimethylphenoxy)-2-hydroxyphenyl]-2-propylpentanamide
PubChem CID59041729
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC NameN-[5-(4-acetamido-2,6-dimethylphenoxy)-2-hydroxyphenyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)Nc1cc(Oc2c(C)cc(NC(C)=O)cc2C)ccc1O
InChIInChI=1S/C24H32N2O4/c1-6-8-18(9-7-2)24(29)26-21-14-20(10-11-22(21)28)30-23-15(3)12-19(13-16(23)4)25-17(5)27/h10-14,18,28H,6-9H2,1-5H3,(H,25,27)(H,26,29)
InChIKeyNSOVMRRLDWEVIK-UHFFFAOYSA-N
XLogP5.91
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 55.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[4-[4-hydroxy-3-(2-methylpropanoylamino)phenoxy]-3,5-dimethylanilino]-2-oxoacetate
CID 59041781
[2-[4-[4-hydroxy-3-(2-phenylpropanoylamino)phenoxy]-3,5-dimethylanilino]-2-oxoethyl] acetate
CID 59041614
formaldehyde;N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide;methanol
CID 143340424
N-[5-[4-(ethylamino)-2,6-dimethylphenoxy]-2-hydroxyphenyl]-2-methoxyacetamide
CID 91042264
2-acetamido-N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide
CID 142200859
(2S)-2-amino-N-(2-hydroxy-5-methoxyphenyl)pentanamide
CID 107570852
ethyl 2-[4-[3-(cyclopropylsulfonylamino)-4-hydroxyphenoxy]-3,5-dimethylanilino]-2-oxoacetate
CID 10275556
2-[4-[3-(tert-butylsulfonylamino)-4-hydroxyphenoxy]-3,5-dimethylanilino]-2-oxoacetic acid
CID 10274703
ethyl 2-[4-[4-hydroxy-3-(3-phenylpropylcarbamoylamino)phenoxy]-3,5-dimethylanilino]-2-oxoacetate
CID 59041671
ethyl 2-[4-[4-hydroxy-3-(pyridine-2-carbonylamino)phenoxy]-3,5-dimethylanilino]-2-oxoacetate
CID 59041638
N-(4-bromo-3,5-dimethylphenyl)-2-propylpentanamide
CID 107575057
3-[5-(4-amino-2,6-dimethylphenoxy)-2-hydroxyphenyl]-1-hexyl-1-methylurea
CID 59041843

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-acetamido-2,6-dimethylphenoxy)-2-hydroxyphenyl]-2-propylpentanamide?
The IUPAC name of N-[5-(4-acetamido-2,6-dimethylphenoxy)-2-hydroxyphenyl]-2-propylpentanamide (CID 59041729) is N-[5-(4-acetamido-2,6-dimethylphenoxy)-2-hydroxyphenyl]-2-propylpentanamide.
What is the SMILES notation for N-[5-(4-acetamido-2,6-dimethylphenoxy)-2-hydroxyphenyl]-2-propylpentanamide?
The canonical SMILES for N-[5-(4-acetamido-2,6-dimethylphenoxy)-2-hydroxyphenyl]-2-propylpentanamide is CCCC(CCC)C(=O)Nc1cc(Oc2c(C)cc(NC(C)=O)cc2C)ccc1O.
What is the InChIKey of N-[5-(4-acetamido-2,6-dimethylphenoxy)-2-hydroxyphenyl]-2-propylpentanamide?
The InChIKey is NSOVMRRLDWEVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-6-8-18(9-7-2)24(29)26-21-14-20(10-11-22(21)28)30-23-15(3)12-19(13-16(23)4)25-17(5)27/h10-14,18,28H,6-9H2,1-5H3,(H,25,27)(H,26,29).
What are the key properties of N-[5-(4-acetamido-2,6-dimethylphenoxy)-2-hydroxyphenyl]-2-propylpentanamide?
N-[5-(4-acetamido-2,6-dimethylphenoxy)-2-hydroxyphenyl]-2-propylpentanamide has a molecular weight of 412.53 g/mol, XLogP of 5.91, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-acetamido-2,6-dimethylphenoxy)-2-hydroxyphenyl]-2-propylpentanamide is sourced from PubChem (CID 59041729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).