2-[ethyl-(2-hydroxy-2-phenylethyl)amino]-N-propan-2-ylacetamide

C15H24N2O2 — CID 110880161

IUPAC2-[ethyl-(2-hydroxy-2-phenylethyl)amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)CC(O)c1ccccc1
InChIInChI=1S/C15H24N2O2/c1-4-17(11-15(19)16-12(2)3)10-14(18)13-8-6-5-7-9-13/h5-9,12,14,18H,4,10-11H2,1-3H3,(H,16,19)
InChIKeyKPHWBXKVZWNBKV-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.57
Rot. Bonds7

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

2-[ethyl-(2-hydroxy-2-phenylethyl)amino]-N-propan-2-ylacetamide (PubChem CID 110880161) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[ethyl-(2-hydroxy-2-phenylethyl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[ethyl-(2-hydroxy-2-phenylethyl)amino]-N-propan-2-ylacetamide
PubChem CID110880161
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[ethyl-(2-hydroxy-2-phenylethyl)amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)CC(O)c1ccccc1
InChIInChI=1S/C15H24N2O2/c1-4-17(11-15(19)16-12(2)3)10-14(18)13-8-6-5-7-9-13/h5-9,12,14,18H,4,10-11H2,1-3H3,(H,16,19)
InChIKeyKPHWBXKVZWNBKV-UHFFFAOYSA-N
XLogP1.57
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-hydroxy-2-phenylethyl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[ethyl-(2-hydroxy-2-phenylethyl)amino]-N-propan-2-ylacetamide (CID 110880161) is 2-[ethyl-(2-hydroxy-2-phenylethyl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[ethyl-(2-hydroxy-2-phenylethyl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[ethyl-(2-hydroxy-2-phenylethyl)amino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)CC(O)c1ccccc1.
What is the InChIKey of 2-[ethyl-(2-hydroxy-2-phenylethyl)amino]-N-propan-2-ylacetamide?
The InChIKey is KPHWBXKVZWNBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-17(11-15(19)16-12(2)3)10-14(18)13-8-6-5-7-9-13/h5-9,12,14,18H,4,10-11H2,1-3H3,(H,16,19).
What are the key properties of 2-[ethyl-(2-hydroxy-2-phenylethyl)amino]-N-propan-2-ylacetamide?
2-[ethyl-(2-hydroxy-2-phenylethyl)amino]-N-propan-2-ylacetamide has a molecular weight of 264.37 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-hydroxy-2-phenylethyl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 110880161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).