N-(4-aminophenyl)-3-(2-ethylhexoxy)propanamide

C17H28N2O2 — CID 43127152

IUPACN-(4-aminophenyl)-3-(2-ethylhexoxy)propanamide
SMILESCCCCC(CC)COCCC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C17H28N2O2/c1-3-5-6-14(4-2)13-21-12-11-17(20)19-16-9-7-15(18)8-10-16/h7-10,14H,3-6,11-13,18H2,1-2H3,(H,19,20)
InChIKeyBNQJSJSOQLVPJQ-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.83
Rot. Bonds10

About N-(4-aminophenyl)-3-(2-ethylhexoxy)propanamide

N-(4-aminophenyl)-3-(2-ethylhexoxy)propanamide (PubChem CID 43127152) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-(4-aminophenyl)-3-(2-ethylhexoxy)propanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-3-(2-ethylhexoxy)propanamide
PubChem CID43127152
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-(4-aminophenyl)-3-(2-ethylhexoxy)propanamide
SMILESCCCCC(CC)COCCC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C17H28N2O2/c1-3-5-6-14(4-2)13-21-12-11-17(20)19-16-9-7-15(18)8-10-16/h7-10,14H,3-6,11-13,18H2,1-2H3,(H,19,20)
InChIKeyBNQJSJSOQLVPJQ-UHFFFAOYSA-N
XLogP3.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminophenyl)-2-(2-ethylhexoxy)acetamide
CID 43127167
N-(3,5-ditert-butyl-4-hydroxyphenyl)-3-(2-ethylhexoxy)propanamide
CID 21446651
4-[2-(2-ethylhexoxy)ethoxy]aniline
CID 43366167
N-[4-(4-aminophenyl)phenyl]pentanamide
CID 90390735
N-(4-aminophenyl)-4-pentylsulfanylbutanamide
CID 107748509
N-(4-aminophenyl)-3-(dibutylamino)propanamide
CID 28982366
N-(4-aminophenyl)-3-(2-ethoxyphenoxy)propanamide
CID 43825399
N-[4-(aminomethyl)phenyl]-3-(2-butoxyethoxy)propanamide
CID 28996025
2-[4-(2-ethylhexoxy)phenoxy]-N-(4-fluorophenyl)acetamide
CID 18823969
N-(4-aminophenyl)-4-pentylsulfinylbutanamide
CID 107753588
N-(4-aminophenyl)-3-(2-phenylethoxy)propanamide
CID 28995698
N-(3-aminophenyl)-3-hexoxypropanamide
CID 28995658

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-3-(2-ethylhexoxy)propanamide?
The IUPAC name of N-(4-aminophenyl)-3-(2-ethylhexoxy)propanamide (CID 43127152) is N-(4-aminophenyl)-3-(2-ethylhexoxy)propanamide.
What is the SMILES notation for N-(4-aminophenyl)-3-(2-ethylhexoxy)propanamide?
The canonical SMILES for N-(4-aminophenyl)-3-(2-ethylhexoxy)propanamide is CCCCC(CC)COCCC(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-3-(2-ethylhexoxy)propanamide?
The InChIKey is BNQJSJSOQLVPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-5-6-14(4-2)13-21-12-11-17(20)19-16-9-7-15(18)8-10-16/h7-10,14H,3-6,11-13,18H2,1-2H3,(H,19,20).
What are the key properties of N-(4-aminophenyl)-3-(2-ethylhexoxy)propanamide?
N-(4-aminophenyl)-3-(2-ethylhexoxy)propanamide has a molecular weight of 292.42 g/mol, XLogP of 3.83, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-3-(2-ethylhexoxy)propanamide is sourced from PubChem (CID 43127152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).