N-[2-[acetyl-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]ethyl]acetamide

C20H24N2O3 — CID 90680256

IUPACN-[2-[acetyl-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]ethyl]acetamide
SMILESCC(=O)NCCN(C(C)=O)[C@@H](c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-15(23)21-13-14-22(16(2)24)19(17-9-5-3-6-10-17)20(25)18-11-7-4-8-12-18/h3-12,19-20,25H,13-14H2,1-2H3,(H,21,23)/t19-,20-/m0/s1
InChIKeyKYMAMTVGBAAJTJ-PMACEKPBSA-N
MW340.42 g/mol
LogP2.45
Rot. Bonds7

About N-[2-[acetyl-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]ethyl]acetamide

N-[2-[acetyl-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]ethyl]acetamide (PubChem CID 90680256) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[2-[acetyl-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[acetyl-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]ethyl]acetamide
PubChem CID90680256
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[2-[acetyl-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]ethyl]acetamide
SMILESCC(=O)NCCN(C(C)=O)[C@@H](c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-15(23)21-13-14-22(16(2)24)19(17-9-5-3-6-10-17)20(25)18-11-7-4-8-12-18/h3-12,19-20,25H,13-14H2,1-2H3,(H,21,23)/t19-,20-/m0/s1
InChIKeyKYMAMTVGBAAJTJ-PMACEKPBSA-N
XLogP2.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[acetyl-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]ethyl]acetamide (CID 90680256) is N-[2-[acetyl-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[acetyl-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[acetyl-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]ethyl]acetamide is CC(=O)NCCN(C(C)=O)[C@@H](c1ccccc1)[C@@H](O)c1ccccc1.
What is the InChIKey of N-[2-[acetyl-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]ethyl]acetamide?
The InChIKey is KYMAMTVGBAAJTJ-PMACEKPBSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15(23)21-13-14-22(16(2)24)19(17-9-5-3-6-10-17)20(25)18-11-7-4-8-12-18/h3-12,19-20,25H,13-14H2,1-2H3,(H,21,23)/t19-,20-/m0/s1.
What are the key properties of N-[2-[acetyl-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]ethyl]acetamide?
N-[2-[acetyl-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]ethyl]acetamide has a molecular weight of 340.42 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]ethyl]acetamide is sourced from PubChem (CID 90680256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).