N-(4-propan-2-yloxyphenyl)-2-(2-propan-2-ylphenoxy)propanamide

C21H27NO3 — CID 43907362

IUPACN-(4-propan-2-yloxyphenyl)-2-(2-propan-2-ylphenoxy)propanamide
SMILESCC(C)Oc1ccc(NC(=O)C(C)Oc2ccccc2C(C)C)cc1
InChIInChI=1S/C21H27NO3/c1-14(2)19-8-6-7-9-20(19)25-16(5)21(23)22-17-10-12-18(13-11-17)24-15(3)4/h6-16H,1-5H3,(H,22,23)
InChIKeyPNMNDBUFWPGPPK-UHFFFAOYSA-N
MW341.45 g/mol
LogP5.00
Rot. Bonds7

About N-(4-propan-2-yloxyphenyl)-2-(2-propan-2-ylphenoxy)propanamide

N-(4-propan-2-yloxyphenyl)-2-(2-propan-2-ylphenoxy)propanamide (PubChem CID 43907362) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-(4-propan-2-yloxyphenyl)-2-(2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-propan-2-yloxyphenyl)-2-(2-propan-2-ylphenoxy)propanamide
PubChem CID43907362
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC NameN-(4-propan-2-yloxyphenyl)-2-(2-propan-2-ylphenoxy)propanamide
SMILESCC(C)Oc1ccc(NC(=O)C(C)Oc2ccccc2C(C)C)cc1
InChIInChI=1S/C21H27NO3/c1-14(2)19-8-6-7-9-20(19)25-16(5)21(23)22-17-10-12-18(13-11-17)24-15(3)4/h6-16H,1-5H3,(H,22,23)
InChIKeyPNMNDBUFWPGPPK-UHFFFAOYSA-N
XLogP5.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 15943089
2-(2-methylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 17340229
2-(2-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 17340245
(2R)-N-(4-phenylmethoxyphenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 92681869
(2S)-N-(4-ethylphenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 38017067
(2R)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 28636193
(2S)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 28636194
ethyl 4-[[(2S)-2-(2-propan-2-ylphenoxy)propanoyl]amino]benzoate
CID 94018798
(2S)-2-(2-propan-2-ylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100505519
N-[4-(phenylsulfamoyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 43915337
N-[4-(1-adamantyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 132947601
(2S)-N-[4-(1-adamantyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 99948868

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yloxyphenyl)-2-(2-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-(4-propan-2-yloxyphenyl)-2-(2-propan-2-ylphenoxy)propanamide (CID 43907362) is N-(4-propan-2-yloxyphenyl)-2-(2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-(4-propan-2-yloxyphenyl)-2-(2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-(4-propan-2-yloxyphenyl)-2-(2-propan-2-ylphenoxy)propanamide is CC(C)Oc1ccc(NC(=O)C(C)Oc2ccccc2C(C)C)cc1.
What is the InChIKey of N-(4-propan-2-yloxyphenyl)-2-(2-propan-2-ylphenoxy)propanamide?
The InChIKey is PNMNDBUFWPGPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-14(2)19-8-6-7-9-20(19)25-16(5)21(23)22-17-10-12-18(13-11-17)24-15(3)4/h6-16H,1-5H3,(H,22,23).
What are the key properties of N-(4-propan-2-yloxyphenyl)-2-(2-propan-2-ylphenoxy)propanamide?
N-(4-propan-2-yloxyphenyl)-2-(2-propan-2-ylphenoxy)propanamide has a molecular weight of 341.45 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yloxyphenyl)-2-(2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 43907362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).