N-(2-aminoethyl)-4-(4-ethoxyphenoxy)butanamide

C14H22N2O3 — CID 119382448

IUPACN-(2-aminoethyl)-4-(4-ethoxyphenoxy)butanamide
SMILESCCOc1ccc(OCCCC(=O)NCCN)cc1
InChIInChI=1S/C14H22N2O3/c1-2-18-12-5-7-13(8-6-12)19-11-3-4-14(17)16-10-9-15/h5-8H,2-4,9-11,15H2,1H3,(H,16,17)
InChIKeySRYCWFXKKJAJTE-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.32
Rot. Bonds9

About N-(2-aminoethyl)-4-(4-ethoxyphenoxy)butanamide

N-(2-aminoethyl)-4-(4-ethoxyphenoxy)butanamide (PubChem CID 119382448) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-(4-ethoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-(4-ethoxyphenoxy)butanamide
PubChem CID119382448
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-(2-aminoethyl)-4-(4-ethoxyphenoxy)butanamide
SMILESCCOc1ccc(OCCCC(=O)NCCN)cc1
InChIInChI=1S/C14H22N2O3/c1-2-18-12-5-7-13(8-6-12)19-11-3-4-14(17)16-10-9-15/h5-8H,2-4,9-11,15H2,1H3,(H,16,17)
InChIKeySRYCWFXKKJAJTE-UHFFFAOYSA-N
XLogP1.32
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-ethoxyphenoxy)-N-[2-(methylamino)ethyl]butanamide
CID 119500483
N-(2-aminoethyl)-4-(4-formylphenoxy)butanamide
CID 39163097
4-(4-acetylphenoxy)-N-(3-aminopropyl)butanamide
CID 119405386
N-(3-aminopropyl)-3-(4-ethylphenoxy)propanamide
CID 110834162
N-(2-aminoethyl)-2-(4-pentoxyphenoxy)acetamide
CID 102457395
4-(4-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]butanamide
CID 24819647
N-(3-aminopropyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 119408093
4-amino-N-[2-(4-chlorophenoxy)ethyl]butanamide;hydrochloride
CID 119271547
3-amino-N-[2-(4-butoxyphenyl)ethyl]propanamide;hydrochloride
CID 119284641
4-(4-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119445383
4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide
CID 108541761
4-amino-N-[4-(4-fluorophenoxy)butyl]butanamide
CID 119274703

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-(4-ethoxyphenoxy)butanamide?
The IUPAC name of N-(2-aminoethyl)-4-(4-ethoxyphenoxy)butanamide (CID 119382448) is N-(2-aminoethyl)-4-(4-ethoxyphenoxy)butanamide.
What is the SMILES notation for N-(2-aminoethyl)-4-(4-ethoxyphenoxy)butanamide?
The canonical SMILES for N-(2-aminoethyl)-4-(4-ethoxyphenoxy)butanamide is CCOc1ccc(OCCCC(=O)NCCN)cc1.
What is the InChIKey of N-(2-aminoethyl)-4-(4-ethoxyphenoxy)butanamide?
The InChIKey is SRYCWFXKKJAJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-2-18-12-5-7-13(8-6-12)19-11-3-4-14(17)16-10-9-15/h5-8H,2-4,9-11,15H2,1H3,(H,16,17).
What are the key properties of N-(2-aminoethyl)-4-(4-ethoxyphenoxy)butanamide?
N-(2-aminoethyl)-4-(4-ethoxyphenoxy)butanamide has a molecular weight of 266.34 g/mol, XLogP of 1.32, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-(4-ethoxyphenoxy)butanamide is sourced from PubChem (CID 119382448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).