N-(2-aminoethyl)-2-(4-pentoxyphenoxy)acetamide

C15H24N2O3 — CID 102457395

IUPACN-(2-aminoethyl)-2-(4-pentoxyphenoxy)acetamide
SMILESCCCCCOc1ccc(OCC(=O)NCCN)cc1
InChIInChI=1S/C15H24N2O3/c1-2-3-4-11-19-13-5-7-14(8-6-13)20-12-15(18)17-10-9-16/h5-8H,2-4,9-12,16H2,1H3,(H,17,18)
InChIKeyUGKRIYMNSXQEQB-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.71
Rot. Bonds10

About N-(2-aminoethyl)-2-(4-pentoxyphenoxy)acetamide

N-(2-aminoethyl)-2-(4-pentoxyphenoxy)acetamide (PubChem CID 102457395) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(4-pentoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(4-pentoxyphenoxy)acetamide
PubChem CID102457395
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-(2-aminoethyl)-2-(4-pentoxyphenoxy)acetamide
SMILESCCCCCOc1ccc(OCC(=O)NCCN)cc1
InChIInChI=1S/C15H24N2O3/c1-2-3-4-11-19-13-5-7-14(8-6-13)20-12-15(18)17-10-9-16/h5-8H,2-4,9-12,16H2,1H3,(H,17,18)
InChIKeyUGKRIYMNSXQEQB-UHFFFAOYSA-N
XLogP1.71
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.71
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

N-butyl-2-(4-propoxyphenoxy)acetamide
CID 112775304
N-(2-aminoethyl)-2-[4-(2-methoxyethyl)phenoxy]acetamide
CID 61207330
N-(2-aminoethyl)-4-(4-ethoxyphenoxy)butanamide
CID 119382448
N-(2-aminoethyl)-2-(4-iodophenoxy)acetamide;hydrochloride
CID 119384507
N-(2-aminoethyl)-2-(4-bromophenoxy)acetamide;hydrochloride
CID 119382433
N-(2-aminoethyl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119384409
butyl N-[2-[(2-phenoxyacetyl)amino]ethyl]carbamate
CID 108573944
3-amino-N-[2-(4-butoxyphenyl)ethyl]propanamide;hydrochloride
CID 119284641
N-butyl-4-[2-oxo-2-(pentylamino)ethoxy]benzamide
CID 4846679
N-(3-aminopropyl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119405354
4-[2-(butylamino)-2-oxoethoxy]benzoic acid
CID 22645381
2-(4-cyanophenoxy)-N-hexylacetamide
CID 9012992

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(4-pentoxyphenoxy)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(4-pentoxyphenoxy)acetamide (CID 102457395) is N-(2-aminoethyl)-2-(4-pentoxyphenoxy)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(4-pentoxyphenoxy)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(4-pentoxyphenoxy)acetamide is CCCCCOc1ccc(OCC(=O)NCCN)cc1.
What is the InChIKey of N-(2-aminoethyl)-2-(4-pentoxyphenoxy)acetamide?
The InChIKey is UGKRIYMNSXQEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-2-3-4-11-19-13-5-7-14(8-6-13)20-12-15(18)17-10-9-16/h5-8H,2-4,9-12,16H2,1H3,(H,17,18).
What are the key properties of N-(2-aminoethyl)-2-(4-pentoxyphenoxy)acetamide?
N-(2-aminoethyl)-2-(4-pentoxyphenoxy)acetamide has a molecular weight of 280.37 g/mol, XLogP of 1.71, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(4-pentoxyphenoxy)acetamide is sourced from PubChem (CID 102457395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).