N-[3-(2-aminoethoxy)propyl]-2-methoxy-2-phenylacetamide

C14H22N2O3 — CID 106308008

IUPACN-[3-(2-aminoethoxy)propyl]-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)NCCCOCCN)c1ccccc1
InChIInChI=1S/C14H22N2O3/c1-18-13(12-6-3-2-4-7-12)14(17)16-9-5-10-19-11-8-15/h2-4,6-7,13H,5,8-11,15H2,1H3,(H,16,17)
InChIKeyRMMBVEIKDKVOAL-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.86
Rot. Bonds9

About N-[3-(2-aminoethoxy)propyl]-2-methoxy-2-phenylacetamide

N-[3-(2-aminoethoxy)propyl]-2-methoxy-2-phenylacetamide (PubChem CID 106308008) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)propyl]-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)propyl]-2-methoxy-2-phenylacetamide
PubChem CID106308008
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-[3-(2-aminoethoxy)propyl]-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)NCCCOCCN)c1ccccc1
InChIInChI=1S/C14H22N2O3/c1-18-13(12-6-3-2-4-7-12)14(17)16-9-5-10-19-11-8-15/h2-4,6-7,13H,5,8-11,15H2,1H3,(H,16,17)
InChIKeyRMMBVEIKDKVOAL-UHFFFAOYSA-N
XLogP0.86
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 ≤ 50.86
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-(5-amino-4-methylpentyl)-2-methoxy-2-phenylacetamide
CID 106153440
7-[[(2R)-2-methoxy-2-phenylacetyl]amino]heptanoic acid
CID 120687217
6-[(2-methoxy-2-phenylacetyl)amino]hexanoic acid
CID 62034774
(2R)-2-amino-N-[3-(2-methoxyethoxy)propyl]-2-phenylacetamide
CID 61275798
N-(5-hydroxy-4-methylpentyl)-2-methoxy-2-phenylacetamide
CID 103861914
N-[2-(ethylamino)ethyl]-2-methoxy-2-phenylacetamide
CID 62658579
2-chloro-N-[3-(2-methoxyethoxy)propyl]-2-phenylacetamide
CID 61251247
(2R)-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-methoxy-2-phenylacetamide
CID 110021427
3-amino-N-[3-(2-methoxyethoxy)propyl]-3-phenylpropanamide
CID 61275597
(2R)-3-[[(2S)-2-methoxy-2-phenylacetyl]amino]-2-phenylpropanoic acid
CID 124724861
N-(2-amino-2-oxoethoxy)-2-methoxy-2-phenylacetamide
CID 112551118
2-amino-N-(3-methoxypropyl)-2-phenylacetamide;hydrochloride
CID 119262550

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)propyl]-2-methoxy-2-phenylacetamide?
The IUPAC name of N-[3-(2-aminoethoxy)propyl]-2-methoxy-2-phenylacetamide (CID 106308008) is N-[3-(2-aminoethoxy)propyl]-2-methoxy-2-phenylacetamide.
What is the SMILES notation for N-[3-(2-aminoethoxy)propyl]-2-methoxy-2-phenylacetamide?
The canonical SMILES for N-[3-(2-aminoethoxy)propyl]-2-methoxy-2-phenylacetamide is COC(C(=O)NCCCOCCN)c1ccccc1.
What is the InChIKey of N-[3-(2-aminoethoxy)propyl]-2-methoxy-2-phenylacetamide?
The InChIKey is RMMBVEIKDKVOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-18-13(12-6-3-2-4-7-12)14(17)16-9-5-10-19-11-8-15/h2-4,6-7,13H,5,8-11,15H2,1H3,(H,16,17).
What are the key properties of N-[3-(2-aminoethoxy)propyl]-2-methoxy-2-phenylacetamide?
N-[3-(2-aminoethoxy)propyl]-2-methoxy-2-phenylacetamide has a molecular weight of 266.34 g/mol, XLogP of 0.86, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)propyl]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 106308008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).