N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]propanamide

C13H20N2O2 — CID 22769471

IUPACN-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]propanamide
SMILESCCC(=O)NCCNCC(O)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-2-13(17)15-9-8-14-10-12(16)11-6-4-3-5-7-11/h3-7,12,14,16H,2,8-10H2,1H3,(H,15,17)
InChIKeyXDFFVHXTBRAEAI-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.84
Rot. Bonds7

About N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]propanamide

N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]propanamide (PubChem CID 22769471) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]propanamide
PubChem CID22769471
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]propanamide
SMILESCCC(=O)NCCNCC(O)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-2-13(17)15-9-8-14-10-12(16)11-6-4-3-5-7-11/h3-7,12,14,16H,2,8-10H2,1H3,(H,15,17)
InChIKeyXDFFVHXTBRAEAI-UHFFFAOYSA-N
XLogP0.84
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]propanamide?
The IUPAC name of N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]propanamide (CID 22769471) is N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]propanamide.
What is the SMILES notation for N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]propanamide?
The canonical SMILES for N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]propanamide is CCC(=O)NCCNCC(O)c1ccccc1.
What is the InChIKey of N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]propanamide?
The InChIKey is XDFFVHXTBRAEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-13(17)15-9-8-14-10-12(16)11-6-4-3-5-7-11/h3-7,12,14,16H,2,8-10H2,1H3,(H,15,17).
What are the key properties of N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]propanamide?
N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]propanamide has a molecular weight of 236.31 g/mol, XLogP of 0.84, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]propanamide is sourced from PubChem (CID 22769471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).