2-(2-aminoethoxy)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide

C13H20N2O3 — CID 107863070

IUPAC2-(2-aminoethoxy)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
SMILESNCCOCC(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C13H20N2O3/c14-6-7-18-10-13(17)15-12(9-16)8-11-4-2-1-3-5-11/h1-5,12,16H,6-10,14H2,(H,15,17)/t12-/m0/s1
InChIKeyATVIUOZHJQDSIJ-LBPRGKRZSA-N
MW252.31 g/mol
LogP-0.32
Rot. Bonds8

About 2-(2-aminoethoxy)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide

2-(2-aminoethoxy)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide (PubChem CID 107863070) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
PubChem CID107863070
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-(2-aminoethoxy)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
SMILESNCCOCC(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C13H20N2O3/c14-6-7-18-10-13(17)15-12(9-16)8-11-4-2-1-3-5-11/h1-5,12,16H,6-10,14H2,(H,15,17)/t12-/m0/s1
InChIKeyATVIUOZHJQDSIJ-LBPRGKRZSA-N
XLogP-0.32
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[[2-(2-aminoethoxy)acetyl]amino]-3-phenylpropanoic acid
CID 104902054
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxyacetamide
CID 101173549
N-(1-amino-3-phenylpropan-2-yl)-2-propoxyacetamide
CID 107941600
N,N'-bis[(2S)-1-hydroxy-3-phenylpropan-2-yl]butanediamide
CID 102096047
3-ethoxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 107861315
butyl N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamate
CID 151882072
6-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylhexanamide
CID 107863098
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
4-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide
CID 114010279
6-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4,4-dimethylhexanamide
CID 65291089
N-(1-amino-3-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212909
2-cyclohexyloxy-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide
CID 109388009

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide (CID 107863070) is 2-(2-aminoethoxy)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide is NCCOCC(=O)N[C@H](CO)Cc1ccccc1.
What is the InChIKey of 2-(2-aminoethoxy)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide?
The InChIKey is ATVIUOZHJQDSIJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N2O3/c14-6-7-18-10-13(17)15-12(9-16)8-11-4-2-1-3-5-11/h1-5,12,16H,6-10,14H2,(H,15,17)/t12-/m0/s1.
What are the key properties of 2-(2-aminoethoxy)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide?
2-(2-aminoethoxy)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide has a molecular weight of 252.31 g/mol, XLogP of -0.32, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide is sourced from PubChem (CID 107863070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).