N-(4-aminophenyl)-2-(3-propan-2-ylphenoxy)propanamide

C18H22N2O2 — CID 16794467

IUPACN-(4-aminophenyl)-2-(3-propan-2-ylphenoxy)propanamide
SMILESCC(Oc1cccc(C(C)C)c1)C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C18H22N2O2/c1-12(2)14-5-4-6-17(11-14)22-13(3)18(21)20-16-9-7-15(19)8-10-16/h4-13H,19H2,1-3H3,(H,20,21)
InChIKeyXGBLYGISOWGLMN-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.80
Rot. Bonds5

About N-(4-aminophenyl)-2-(3-propan-2-ylphenoxy)propanamide

N-(4-aminophenyl)-2-(3-propan-2-ylphenoxy)propanamide (PubChem CID 16794467) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(3-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(3-propan-2-ylphenoxy)propanamide
PubChem CID16794467
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-(4-aminophenyl)-2-(3-propan-2-ylphenoxy)propanamide
SMILESCC(Oc1cccc(C(C)C)c1)C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C18H22N2O2/c1-12(2)14-5-4-6-17(11-14)22-13(3)18(21)20-16-9-7-15(19)8-10-16/h4-13H,19H2,1-3H3,(H,20,21)
InChIKeyXGBLYGISOWGLMN-UHFFFAOYSA-N
XLogP3.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-propan-2-ylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 134007931
2-(4-aminophenoxy)-N-phenylpropanamide
CID 43115954
(2R)-2-(3-bromophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 1177364
2-[[2-[4-[2-(3-propan-2-ylphenoxy)propanoylamino]phenyl]acetyl]amino]acetic acid
CID 119224616
(2S)-2-(3-cyanophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 7964261
2-(3-methoxyphenoxy)-N-(4-methoxyphenyl)propanamide
CID 19203873
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-2-(3-propan-2-ylphenoxy)propanamide
CID 55796411
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
methyl 4-[2-(3-methoxyphenoxy)propanoylamino]benzoate
CID 19203887
2-[3-(1-aminoethyl)phenoxy]-N-methylpropanamide
CID 43116403
N-butan-2-yl-2-(3-propan-2-ylphenoxy)propanamide
CID 134037762
N-[4-[2-(3-tert-butylphenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 55770987

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(3-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-(4-aminophenyl)-2-(3-propan-2-ylphenoxy)propanamide (CID 16794467) is N-(4-aminophenyl)-2-(3-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(3-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-(4-aminophenyl)-2-(3-propan-2-ylphenoxy)propanamide is CC(Oc1cccc(C(C)C)c1)C(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-(3-propan-2-ylphenoxy)propanamide?
The InChIKey is XGBLYGISOWGLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12(2)14-5-4-6-17(11-14)22-13(3)18(21)20-16-9-7-15(19)8-10-16/h4-13H,19H2,1-3H3,(H,20,21).
What are the key properties of N-(4-aminophenyl)-2-(3-propan-2-ylphenoxy)propanamide?
N-(4-aminophenyl)-2-(3-propan-2-ylphenoxy)propanamide has a molecular weight of 298.39 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-(3-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 16794467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).