2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]hexanamide

C16H26N2O2 — CID 60953617

IUPAC2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]hexanamide
SMILESCCCCC(N)C(=O)N(CC)C(C)c1cccc(O)c1
InChIInChI=1S/C16H26N2O2/c1-4-6-10-15(17)16(20)18(5-2)12(3)13-8-7-9-14(19)11-13/h7-9,11-12,15,19H,4-6,10,17H2,1-3H3
InChIKeyUUJSUDLPDRGOLG-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.82
Rot. Bonds7

About 2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]hexanamide

2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]hexanamide (PubChem CID 60953617) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]hexanamide.

Molecular Properties

Compound Name2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]hexanamide
PubChem CID60953617
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]hexanamide
SMILESCCCCC(N)C(=O)N(CC)C(C)c1cccc(O)c1
InChIInChI=1S/C16H26N2O2/c1-4-6-10-15(17)16(20)18(5-2)12(3)13-8-7-9-14(19)11-13/h7-9,11-12,15,19H,4-6,10,17H2,1-3H3
InChIKeyUUJSUDLPDRGOLG-UHFFFAOYSA-N
XLogP2.82
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]hexanamide?
The IUPAC name of 2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]hexanamide (CID 60953617) is 2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]hexanamide.
What is the SMILES notation for 2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]hexanamide?
The canonical SMILES for 2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]hexanamide is CCCCC(N)C(=O)N(CC)C(C)c1cccc(O)c1.
What is the InChIKey of 2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]hexanamide?
The InChIKey is UUJSUDLPDRGOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-6-10-15(17)16(20)18(5-2)12(3)13-8-7-9-14(19)11-13/h7-9,11-12,15,19H,4-6,10,17H2,1-3H3.
What are the key properties of 2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]hexanamide?
2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]hexanamide has a molecular weight of 278.40 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]hexanamide is sourced from PubChem (CID 60953617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).