N-(2-aminoethyl)-N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]acetamide

C18H22N2O2 — CID 90680257

IUPACN-(2-aminoethyl)-N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]acetamide
SMILESCC(=O)N(CCN)[C@@H](c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C18H22N2O2/c1-14(21)20(13-12-19)17(15-8-4-2-5-9-15)18(22)16-10-6-3-7-11-16/h2-11,17-18,22H,12-13,19H2,1H3/t17-,18-/m0/s1
InChIKeyHSPPUPMSEWOCKX-ROUUACIJSA-N
MW298.39 g/mol
LogP2.27
Rot. Bonds6

About N-(2-aminoethyl)-N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]acetamide

N-(2-aminoethyl)-N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]acetamide (PubChem CID 90680257) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]acetamide
PubChem CID90680257
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-(2-aminoethyl)-N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]acetamide
SMILESCC(=O)N(CCN)[C@@H](c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C18H22N2O2/c1-14(21)20(13-12-19)17(15-8-4-2-5-9-15)18(22)16-10-6-3-7-11-16/h2-11,17-18,22H,12-13,19H2,1H3/t17-,18-/m0/s1
InChIKeyHSPPUPMSEWOCKX-ROUUACIJSA-N
XLogP2.27
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]acetamide?
The IUPAC name of N-(2-aminoethyl)-N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]acetamide (CID 90680257) is N-(2-aminoethyl)-N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]acetamide.
What is the SMILES notation for N-(2-aminoethyl)-N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]acetamide?
The canonical SMILES for N-(2-aminoethyl)-N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]acetamide is CC(=O)N(CCN)[C@@H](c1ccccc1)[C@@H](O)c1ccccc1.
What is the InChIKey of N-(2-aminoethyl)-N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]acetamide?
The InChIKey is HSPPUPMSEWOCKX-ROUUACIJSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14(21)20(13-12-19)17(15-8-4-2-5-9-15)18(22)16-10-6-3-7-11-16/h2-11,17-18,22H,12-13,19H2,1H3/t17-,18-/m0/s1.
What are the key properties of N-(2-aminoethyl)-N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]acetamide?
N-(2-aminoethyl)-N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]acetamide has a molecular weight of 298.39 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]acetamide is sourced from PubChem (CID 90680257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).