N-(4-aminophenyl)-2-(2-ethylhexoxy)acetamide

C16H26N2O2 — CID 43127167

IUPACN-(4-aminophenyl)-2-(2-ethylhexoxy)acetamide
SMILESCCCCC(CC)COCC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C16H26N2O2/c1-3-5-6-13(4-2)11-20-12-16(19)18-15-9-7-14(17)8-10-15/h7-10,13H,3-6,11-12,17H2,1-2H3,(H,18,19)
InChIKeyNJJOEKJOGIKLLG-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.44
Rot. Bonds9

About N-(4-aminophenyl)-2-(2-ethylhexoxy)acetamide

N-(4-aminophenyl)-2-(2-ethylhexoxy)acetamide (PubChem CID 43127167) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(2-ethylhexoxy)acetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(2-ethylhexoxy)acetamide
PubChem CID43127167
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(4-aminophenyl)-2-(2-ethylhexoxy)acetamide
SMILESCCCCC(CC)COCC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C16H26N2O2/c1-3-5-6-13(4-2)11-20-12-16(19)18-15-9-7-14(17)8-10-15/h7-10,13H,3-6,11-12,17H2,1-2H3,(H,18,19)
InChIKeyNJJOEKJOGIKLLG-UHFFFAOYSA-N
XLogP3.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.44
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

N-(4-aminophenyl)-3-(2-ethylhexoxy)propanamide
CID 43127152
2-[4-(2-ethylhexoxy)phenoxy]-N-(4-fluorophenyl)acetamide
CID 18823969
N-(4-aminophenyl)-2-(1-ethoxypropan-2-yloxy)acetamide
CID 103486889
2-(2-ethylhexoxy)acetic acid
CID 11651287
N-(4-aminophenyl)-2-(2-methoxyethoxy)acetamide;hydrochloride
CID 91844892
4-[2-(2-ethylhexoxy)ethoxy]aniline
CID 43366167
N-[4-(4-aminophenyl)phenyl]pentanamide
CID 90390735
2-(2-ethylhexoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 43793733
1-(2-ethylhexoxy)-3-methylbutan-2-one
CID 79396410
methyl 2-amino-6-(2-ethylhexoxymethyl)benzoate
CID 104825407
N-(6-amino-3-pyridinyl)-3-ethylheptanamide
CID 119515581
2-amino-6-(2-ethylhexoxymethyl)benzoic acid
CID 104825406

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(2-ethylhexoxy)acetamide?
The IUPAC name of N-(4-aminophenyl)-2-(2-ethylhexoxy)acetamide (CID 43127167) is N-(4-aminophenyl)-2-(2-ethylhexoxy)acetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(2-ethylhexoxy)acetamide?
The canonical SMILES for N-(4-aminophenyl)-2-(2-ethylhexoxy)acetamide is CCCCC(CC)COCC(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-(2-ethylhexoxy)acetamide?
The InChIKey is NJJOEKJOGIKLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-5-6-13(4-2)11-20-12-16(19)18-15-9-7-14(17)8-10-15/h7-10,13H,3-6,11-12,17H2,1-2H3,(H,18,19).
What are the key properties of N-(4-aminophenyl)-2-(2-ethylhexoxy)acetamide?
N-(4-aminophenyl)-2-(2-ethylhexoxy)acetamide has a molecular weight of 278.40 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-(2-ethylhexoxy)acetamide is sourced from PubChem (CID 43127167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).