N-[(1R)-1-(4-aminophenyl)ethyl]-2-(4-tert-butylphenoxy)acetamide

C20H26N2O2 — CID 58640419

IUPACN-[(1R)-1-(4-aminophenyl)ethyl]-2-(4-tert-butylphenoxy)acetamide
SMILESC[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(N)cc1
InChIInChI=1S/C20H26N2O2/c1-14(15-5-9-17(21)10-6-15)22-19(23)13-24-18-11-7-16(8-12-18)20(2,3)4/h5-12,14H,13,21H2,1-4H3,(H,22,23)/t14-/m1/s1
InChIKeyJZCDZTRZZPOJEA-CQSZACIVSA-N
MW326.44 g/mol
LogP3.82
Rot. Bonds5

About N-[(1R)-1-(4-aminophenyl)ethyl]-2-(4-tert-butylphenoxy)acetamide

N-[(1R)-1-(4-aminophenyl)ethyl]-2-(4-tert-butylphenoxy)acetamide (PubChem CID 58640419) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[(1R)-1-(4-aminophenyl)ethyl]-2-(4-tert-butylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-aminophenyl)ethyl]-2-(4-tert-butylphenoxy)acetamide
PubChem CID58640419
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-[(1R)-1-(4-aminophenyl)ethyl]-2-(4-tert-butylphenoxy)acetamide
SMILESC[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(N)cc1
InChIInChI=1S/C20H26N2O2/c1-14(15-5-9-17(21)10-6-15)22-19(23)13-24-18-11-7-16(8-12-18)20(2,3)4/h5-12,14H,13,21H2,1-4H3,(H,22,23)/t14-/m1/s1
InChIKeyJZCDZTRZZPOJEA-CQSZACIVSA-N
XLogP3.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.82
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

2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2462788
2-(4-aminophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 61026509
N-[4-[1-[[2-(4-tert-butylphenoxy)acetyl]amino]ethyl]phenyl]propanamide
CID 55657683
N-[1-(4-tert-butylphenyl)ethyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 132655775
2-(4-tert-butylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17329495
(4-tert-butylphenyl) N-[1-(4-aminophenyl)ethyl]carbamate
CID 143227098
2-(4-aminophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 106208034
2-(4-tert-butylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133190699
2-(4-aminophenoxy)-N-[1-(3-bromophenyl)ethyl]acetamide
CID 61140560
2-(4-tert-butylphenoxy)-N-(2,4-dimethylpentan-3-yl)acetamide
CID 53283030
2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 25352795
2-(5-amino-2-pyridinyl)-N-[1-(4-tert-butylphenyl)ethyl]acetamide
CID 120621513

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-aminophenyl)ethyl]-2-(4-tert-butylphenoxy)acetamide?
The IUPAC name of N-[(1R)-1-(4-aminophenyl)ethyl]-2-(4-tert-butylphenoxy)acetamide (CID 58640419) is N-[(1R)-1-(4-aminophenyl)ethyl]-2-(4-tert-butylphenoxy)acetamide.
What is the SMILES notation for N-[(1R)-1-(4-aminophenyl)ethyl]-2-(4-tert-butylphenoxy)acetamide?
The canonical SMILES for N-[(1R)-1-(4-aminophenyl)ethyl]-2-(4-tert-butylphenoxy)acetamide is C[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(N)cc1.
What is the InChIKey of N-[(1R)-1-(4-aminophenyl)ethyl]-2-(4-tert-butylphenoxy)acetamide?
The InChIKey is JZCDZTRZZPOJEA-CQSZACIVSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-14(15-5-9-17(21)10-6-15)22-19(23)13-24-18-11-7-16(8-12-18)20(2,3)4/h5-12,14H,13,21H2,1-4H3,(H,22,23)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(4-aminophenyl)ethyl]-2-(4-tert-butylphenoxy)acetamide?
N-[(1R)-1-(4-aminophenyl)ethyl]-2-(4-tert-butylphenoxy)acetamide has a molecular weight of 326.44 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-aminophenyl)ethyl]-2-(4-tert-butylphenoxy)acetamide is sourced from PubChem (CID 58640419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).