N-(4-propan-2-ylphenyl)-2-(4-propylphenoxy)propanamide

C21H27NO2 — CID 53266150

IUPACN-(4-propan-2-ylphenyl)-2-(4-propylphenoxy)propanamide
SMILESCCCc1ccc(OC(C)C(=O)Nc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C21H27NO2/c1-5-6-17-7-13-20(14-8-17)24-16(4)21(23)22-19-11-9-18(10-12-19)15(2)3/h7-16H,5-6H2,1-4H3,(H,22,23)
InChIKeyMZSVCGFIFIPJMS-UHFFFAOYSA-N
MW325.45 g/mol
LogP5.17
Rot. Bonds7

About N-(4-propan-2-ylphenyl)-2-(4-propylphenoxy)propanamide

N-(4-propan-2-ylphenyl)-2-(4-propylphenoxy)propanamide (PubChem CID 53266150) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-2-(4-propylphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-2-(4-propylphenoxy)propanamide
PubChem CID53266150
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC NameN-(4-propan-2-ylphenyl)-2-(4-propylphenoxy)propanamide
SMILESCCCc1ccc(OC(C)C(=O)Nc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C21H27NO2/c1-5-6-17-7-13-20(14-8-17)24-16(4)21(23)22-19-11-9-18(10-12-19)15(2)3/h7-16H,5-6H2,1-4H3,(H,22,23)
InChIKeyMZSVCGFIFIPJMS-UHFFFAOYSA-N
XLogP5.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.45
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-butan-2-yloxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 17160633
methyl 4-[2-(4-propylphenoxy)propanoylamino]benzoate
CID 53266101
N-ethyl-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 17234372
2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 2951611
N-(4-heptoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953734
N-(3-chlorophenyl)-2-(4-propylphenoxy)propanamide
CID 53266042
(2S)-N-(4-acetylphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 9238804
N-(4-acetylphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953600
(2R)-2-(4-bromophenoxy)-N-(4-butylphenyl)propanamide
CID 94842128
N-(4-acetamidophenyl)-2-(4-ethylphenoxy)propanamide
CID 4953258
2-(4-propan-2-ylphenoxy)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide
CID 108933715
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-propylphenoxy)propanamide
CID 53266036

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-2-(4-propylphenoxy)propanamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-2-(4-propylphenoxy)propanamide (CID 53266150) is N-(4-propan-2-ylphenyl)-2-(4-propylphenoxy)propanamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-2-(4-propylphenoxy)propanamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-2-(4-propylphenoxy)propanamide is CCCc1ccc(OC(C)C(=O)Nc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-2-(4-propylphenoxy)propanamide?
The InChIKey is MZSVCGFIFIPJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-5-6-17-7-13-20(14-8-17)24-16(4)21(23)22-19-11-9-18(10-12-19)15(2)3/h7-16H,5-6H2,1-4H3,(H,22,23).
What are the key properties of N-(4-propan-2-ylphenyl)-2-(4-propylphenoxy)propanamide?
N-(4-propan-2-ylphenyl)-2-(4-propylphenoxy)propanamide has a molecular weight of 325.45 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-2-(4-propylphenoxy)propanamide is sourced from PubChem (CID 53266150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).