N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-(propan-2-ylamino)acetamide

C14H22N2O2 — CID 107734471

IUPACN-ethyl-N-(5-hydroxy-2-methylphenyl)-2-(propan-2-ylamino)acetamide
SMILESCCN(C(=O)CNC(C)C)c1cc(O)ccc1C
InChIInChI=1S/C14H22N2O2/c1-5-16(14(18)9-15-10(2)3)13-8-12(17)7-6-11(13)4/h6-8,10,15,17H,5,9H2,1-4H3
InChIKeyMUGBETAWRADOQJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.05
Rot. Bonds5

About N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-(propan-2-ylamino)acetamide

N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-(propan-2-ylamino)acetamide (PubChem CID 107734471) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(5-hydroxy-2-methylphenyl)-2-(propan-2-ylamino)acetamide
PubChem CID107734471
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-ethyl-N-(5-hydroxy-2-methylphenyl)-2-(propan-2-ylamino)acetamide
SMILESCCN(C(=O)CNC(C)C)c1cc(O)ccc1C
InChIInChI=1S/C14H22N2O2/c1-5-16(14(18)9-15-10(2)3)13-8-12(17)7-6-11(13)4/h6-8,10,15,17H,5,9H2,1-4H3
InChIKeyMUGBETAWRADOQJ-UHFFFAOYSA-N
XLogP2.05
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-(propan-2-ylamino)acetamide (CID 107734471) is N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-(propan-2-ylamino)acetamide is CCN(C(=O)CNC(C)C)c1cc(O)ccc1C.
What is the InChIKey of N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-(propan-2-ylamino)acetamide?
The InChIKey is MUGBETAWRADOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-16(14(18)9-15-10(2)3)13-8-12(17)7-6-11(13)4/h6-8,10,15,17H,5,9H2,1-4H3.
What are the key properties of N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-(propan-2-ylamino)acetamide?
N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-(propan-2-ylamino)acetamide has a molecular weight of 250.34 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 107734471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).