2-amino-3-(2-phenylethoxy)propanamide

C11H16N2O2 — CID 114989411

IUPAC2-amino-3-(2-phenylethoxy)propanamide
SMILESNC(=O)C(N)COCCc1ccccc1
InChIInChI=1S/C11H16N2O2/c12-10(11(13)14)8-15-7-6-9-4-2-1-3-5-9/h1-5,10H,6-8,12H2,(H2,13,14)
InChIKeyXHQJAAIROBSUSD-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.06
Rot. Bonds6

About 2-amino-3-(2-phenylethoxy)propanamide

2-amino-3-(2-phenylethoxy)propanamide (PubChem CID 114989411) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-amino-3-(2-phenylethoxy)propanamide.

Molecular Properties

Compound Name2-amino-3-(2-phenylethoxy)propanamide
PubChem CID114989411
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-amino-3-(2-phenylethoxy)propanamide
SMILESNC(=O)C(N)COCCc1ccccc1
InChIInChI=1S/C11H16N2O2/c12-10(11(13)14)8-15-7-6-9-4-2-1-3-5-9/h1-5,10H,6-8,12H2,(H2,13,14)
InChIKeyXHQJAAIROBSUSD-UHFFFAOYSA-N
XLogP0.06
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.06
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

2-amino-3-(2-phenylethoxy)propan-1-ol
CID 77236117
2-[2-aminoethyl-[1-carboxy-2-(2-phenylethoxy)ethyl]amino]-3-(2-phenylethoxy)propanoic acid
CID 57302863
benzyl (3R)-3-hydroxy-4-(2-phenylethoxy)butanoate
CID 134919320
2-hydroxypropyl 2-(2-phenylethoxy)ethyl carbonate
CID 130220835
2-[4-[2-[(2S)-2-amino-3-phenylpropanoyl]oxyethyl]phenyl]ethyl (2S)-2-amino-3-phenylpropanoate
CID 102020436
1-phenyl-3-(2-phenylethoxy)propan-2-ol
CID 150542863
bis(2-phenylethyl) (2S,3S)-2,3-dihydroxybutanedioate
CID 70936130
2-[2-(2-amino-3-phenylpropanoyl)oxyethoxy]ethyl 2-amino-3-phenylpropanoate
CID 58112359
1-(2-phenylethoxy)butane-2,3-diol
CID 175116942
2-amino-3-(pyridin-2-ylmethoxy)propanamide
CID 83213494
2-(2-phenylethoxy)ethyl pyridin-2-yl carbonate
CID 73294493
2-amino-3-phenylmethoxycarbonyloxypropanoic acid
CID 67008928

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-phenylethoxy)propanamide?
The IUPAC name of 2-amino-3-(2-phenylethoxy)propanamide (CID 114989411) is 2-amino-3-(2-phenylethoxy)propanamide.
What is the SMILES notation for 2-amino-3-(2-phenylethoxy)propanamide?
The canonical SMILES for 2-amino-3-(2-phenylethoxy)propanamide is NC(=O)C(N)COCCc1ccccc1.
What is the InChIKey of 2-amino-3-(2-phenylethoxy)propanamide?
The InChIKey is XHQJAAIROBSUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c12-10(11(13)14)8-15-7-6-9-4-2-1-3-5-9/h1-5,10H,6-8,12H2,(H2,13,14).
What are the key properties of 2-amino-3-(2-phenylethoxy)propanamide?
2-amino-3-(2-phenylethoxy)propanamide has a molecular weight of 208.26 g/mol, XLogP of 0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-phenylethoxy)propanamide is sourced from PubChem (CID 114989411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).