N-[2-(benzylamino)ethyl]-2-phenoxyacetamide

C17H20N2O2 — CID 12876184

IUPACN-[2-(benzylamino)ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCNCc1ccccc1
InChIInChI=1S/C17H20N2O2/c20-17(14-21-16-9-5-2-6-10-16)19-12-11-18-13-15-7-3-1-4-8-15/h1-10,18H,11-14H2,(H,19,20)
InChIKeyHWIYFGXCJZFCDN-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.97
Rot. Bonds8

About N-[2-(benzylamino)ethyl]-2-phenoxyacetamide

N-[2-(benzylamino)ethyl]-2-phenoxyacetamide (PubChem CID 12876184) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[2-(benzylamino)ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(benzylamino)ethyl]-2-phenoxyacetamide
PubChem CID12876184
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[2-(benzylamino)ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCNCc1ccccc1
InChIInChI=1S/C17H20N2O2/c20-17(14-21-16-9-5-2-6-10-16)19-12-11-18-13-15-7-3-1-4-8-15/h1-10,18H,11-14H2,(H,19,20)
InChIKeyHWIYFGXCJZFCDN-UHFFFAOYSA-N
XLogP1.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phenyl N-[2-(benzylamino)ethyl]carbamate
CID 59371189
N-[2-(benzylamino)ethyl]propanamide
CID 54513126
N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-2-phenoxyacetamide
CID 21426688
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(2-phenoxyethoxy)acetamide
CID 47045190
N-benzyl-2-(4-formylphenoxy)acetamide
CID 17201664
2-[(2-phenoxyacetyl)amino]ethyl 2-phenylacetate
CID 101151355
N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-phenoxyacetamide;oxalic acid
CID 13030874
N-(hydroxymethyl)-2-phenoxyacetamide
CID 12769641
[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(2-phenoxyacetyl)amino]acetate
CID 55303919
N-(4-acetamidobutyl)-2-phenoxyacetamide
CID 110358551
N-(3-amino-3-sulfanylidenepropyl)-2-phenoxyacetamide
CID 62666698
N-(3-methylbutyl)-2-phenoxyacetamide
CID 2905656

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(benzylamino)ethyl]-2-phenoxyacetamide (CID 12876184) is N-[2-(benzylamino)ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(benzylamino)ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(benzylamino)ethyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCCNCc1ccccc1.
What is the InChIKey of N-[2-(benzylamino)ethyl]-2-phenoxyacetamide?
The InChIKey is HWIYFGXCJZFCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-17(14-21-16-9-5-2-6-10-16)19-12-11-18-13-15-7-3-1-4-8-15/h1-10,18H,11-14H2,(H,19,20).
What are the key properties of N-[2-(benzylamino)ethyl]-2-phenoxyacetamide?
N-[2-(benzylamino)ethyl]-2-phenoxyacetamide has a molecular weight of 284.36 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 12876184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).