2-(3-aminophenoxy)-N-(3-propan-2-ylphenyl)acetamide

C17H20N2O2 — CID 61035869

IUPAC2-(3-aminophenoxy)-N-(3-propan-2-ylphenyl)acetamide
SMILESCC(C)c1cccc(NC(=O)COc2cccc(N)c2)c1
InChIInChI=1S/C17H20N2O2/c1-12(2)13-5-3-7-15(9-13)19-17(20)11-21-16-8-4-6-14(18)10-16/h3-10,12H,11,18H2,1-2H3,(H,19,20)
InChIKeySMSQMSCDXIXXKP-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.41
Rot. Bonds5

About 2-(3-aminophenoxy)-N-(3-propan-2-ylphenyl)acetamide

2-(3-aminophenoxy)-N-(3-propan-2-ylphenyl)acetamide (PubChem CID 61035869) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-N-(3-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenoxy)-N-(3-propan-2-ylphenyl)acetamide
PubChem CID61035869
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-(3-aminophenoxy)-N-(3-propan-2-ylphenyl)acetamide
SMILESCC(C)c1cccc(NC(=O)COc2cccc(N)c2)c1
InChIInChI=1S/C17H20N2O2/c1-12(2)13-5-3-7-15(9-13)19-17(20)11-21-16-8-4-6-14(18)10-16/h3-10,12H,11,18H2,1-2H3,(H,19,20)
InChIKeySMSQMSCDXIXXKP-UHFFFAOYSA-N
XLogP3.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19175983
N-(3-aminophenyl)-2-(3-methylphenoxy)acetamide
CID 16789843
N-(5-amino-2-methylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 16782919
N-(4-iodophenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19176026
N-(3-aminophenyl)-2-naphthalen-2-yloxyacetamide
CID 16788601
N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-naphthalen-2-yloxyacetamide
CID 7314126
2-[3-(1-hydroxyethyl)phenoxy]-N-(4-propan-2-ylphenyl)acetamide
CID 110884631
3-(2-amino-2-oxoethoxy)-N-(3-propan-2-ylphenyl)benzamide
CID 35704432
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 49033929
2-(2-chlorophenoxy)-N-(3-propan-2-ylphenyl)acetamide
CID 9293522
N-[4-(methanesulfonamido)-3-methoxyphenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 55639184
2-(3-aminophenoxy)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 61034820

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-N-(3-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(3-aminophenoxy)-N-(3-propan-2-ylphenyl)acetamide (CID 61035869) is 2-(3-aminophenoxy)-N-(3-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(3-aminophenoxy)-N-(3-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(3-aminophenoxy)-N-(3-propan-2-ylphenyl)acetamide is CC(C)c1cccc(NC(=O)COc2cccc(N)c2)c1.
What is the InChIKey of 2-(3-aminophenoxy)-N-(3-propan-2-ylphenyl)acetamide?
The InChIKey is SMSQMSCDXIXXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12(2)13-5-3-7-15(9-13)19-17(20)11-21-16-8-4-6-14(18)10-16/h3-10,12H,11,18H2,1-2H3,(H,19,20).
What are the key properties of 2-(3-aminophenoxy)-N-(3-propan-2-ylphenyl)acetamide?
2-(3-aminophenoxy)-N-(3-propan-2-ylphenyl)acetamide has a molecular weight of 284.36 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-N-(3-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 61035869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).