2-(4-aminophenyl)-N-(2-ethoxy-2-methylpropyl)-2-methylpropanamide

C16H26N2O2 — CID 114942256

IUPAC2-(4-aminophenyl)-N-(2-ethoxy-2-methylpropyl)-2-methylpropanamide
SMILESCCOC(C)(C)CNC(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C16H26N2O2/c1-6-20-15(2,3)11-18-14(19)16(4,5)12-7-9-13(17)10-8-12/h7-10H,6,11,17H2,1-5H3,(H,18,19)
InChIKeyYBDINRCEFXVWST-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.48
Rot. Bonds6

About 2-(4-aminophenyl)-N-(2-ethoxy-2-methylpropyl)-2-methylpropanamide

2-(4-aminophenyl)-N-(2-ethoxy-2-methylpropyl)-2-methylpropanamide (PubChem CID 114942256) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(2-ethoxy-2-methylpropyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(2-ethoxy-2-methylpropyl)-2-methylpropanamide
PubChem CID114942256
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(4-aminophenyl)-N-(2-ethoxy-2-methylpropyl)-2-methylpropanamide
SMILESCCOC(C)(C)CNC(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C16H26N2O2/c1-6-20-15(2,3)11-18-14(19)16(4,5)12-7-9-13(17)10-8-12/h7-10H,6,11,17H2,1-5H3,(H,18,19)
InChIKeyYBDINRCEFXVWST-UHFFFAOYSA-N
XLogP2.48
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.48
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-aminophenyl)-N-(2-methoxy-2-methylpropyl)-2-methylpropanamide
CID 104761269
4-amino-N-(2-ethoxy-2-methylpropyl)benzamide
CID 114940355
2-(4-aminophenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylpropanamide
CID 106255526
3-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-2,2-dimethylpropanoic acid
CID 115427853
2-(4-aminophenyl)-N-(3-hydroxypropyl)-2-methylpropanamide
CID 68786932
2-(4-aminophenyl)-N-(2-hydroxy-2,4-dimethylpentyl)-2-methylpropanamide
CID 80555177
2-(4-aminophenyl)-N-(6-hydroxyhexyl)-2-methylpropanamide
CID 107842398
4-(2-ethoxypropan-2-yl)aniline
CID 122627263
2-(4-aminophenyl)-N-(3-hydroxybutyl)-2-methylpropanamide
CID 80556154
2-(4-aminophenyl)-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]propanamide
CID 80555002
2-(4-aminophenyl)-N-(2-hydroxy-3-methoxypropyl)-2-methylpropanamide
CID 80556294
N-(2-amino-2-oxoethoxy)-2-(4-aminophenyl)-2-methylpropanamide
CID 112674142

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(2-ethoxy-2-methylpropyl)-2-methylpropanamide?
The IUPAC name of 2-(4-aminophenyl)-N-(2-ethoxy-2-methylpropyl)-2-methylpropanamide (CID 114942256) is 2-(4-aminophenyl)-N-(2-ethoxy-2-methylpropyl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(2-ethoxy-2-methylpropyl)-2-methylpropanamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(2-ethoxy-2-methylpropyl)-2-methylpropanamide is CCOC(C)(C)CNC(=O)C(C)(C)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(2-ethoxy-2-methylpropyl)-2-methylpropanamide?
The InChIKey is YBDINRCEFXVWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-6-20-15(2,3)11-18-14(19)16(4,5)12-7-9-13(17)10-8-12/h7-10H,6,11,17H2,1-5H3,(H,18,19).
What are the key properties of 2-(4-aminophenyl)-N-(2-ethoxy-2-methylpropyl)-2-methylpropanamide?
2-(4-aminophenyl)-N-(2-ethoxy-2-methylpropyl)-2-methylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(2-ethoxy-2-methylpropyl)-2-methylpropanamide is sourced from PubChem (CID 114942256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).