N-[3-[1-[[2-ethyl-2-(hydroxymethyl)butyl]amino]ethyl]phenyl]acetamide

C17H28N2O2 — CID 81399857

IUPACN-[3-[1-[[2-ethyl-2-(hydroxymethyl)butyl]amino]ethyl]phenyl]acetamide
SMILESCCC(CC)(CO)CNC(C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C17H28N2O2/c1-5-17(6-2,12-20)11-18-13(3)15-8-7-9-16(10-15)19-14(4)21/h7-10,13,18,20H,5-6,11-12H2,1-4H3,(H,19,21)
InChIKeyGQGRAZCNSPNWJU-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.09
Rot. Bonds8

About N-[3-[1-[[2-ethyl-2-(hydroxymethyl)butyl]amino]ethyl]phenyl]acetamide

N-[3-[1-[[2-ethyl-2-(hydroxymethyl)butyl]amino]ethyl]phenyl]acetamide (PubChem CID 81399857) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[3-[1-[[2-ethyl-2-(hydroxymethyl)butyl]amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[[2-ethyl-2-(hydroxymethyl)butyl]amino]ethyl]phenyl]acetamide
PubChem CID81399857
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[3-[1-[[2-ethyl-2-(hydroxymethyl)butyl]amino]ethyl]phenyl]acetamide
SMILESCCC(CC)(CO)CNC(C)c1cccc(NC(C)=O)c1
InChIInChI=1S/C17H28N2O2/c1-5-17(6-2,12-20)11-18-13(3)15-8-7-9-16(10-15)19-14(4)21/h7-10,13,18,20H,5-6,11-12H2,1-4H3,(H,19,21)
InChIKeyGQGRAZCNSPNWJU-UHFFFAOYSA-N
XLogP3.09
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[1-[(2,3-dihydroxy-2-methylpropyl)amino]ethyl]phenyl]acetamide
CID 66170692
2-ethyl-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]butan-1-ol
CID 81419089
N-[3-[1-[(2-methoxy-2-methylpropyl)amino]ethyl]phenyl]acetamide
CID 115728578
N-[3-[1-[(2-hydroxy-2-phenylpropyl)amino]ethyl]phenyl]acetamide
CID 110912716
N-[3-[1-(2-hydroxybutylamino)ethyl]phenyl]acetamide
CID 54880370
N-[3-[1-(but-2-ynylamino)ethyl]phenyl]acetamide
CID 62309945
N-[3-[1-(5-hydroxypentylamino)ethyl]phenyl]acetamide
CID 55053195
N-[3-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]ethyl]phenyl]acetamide
CID 103784147
2-[1-(3-acetamidophenyl)ethylamino]-N-carbamoylacetamide
CID 60979755
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
N-[3-[1-(3-methylsulfinylbutylamino)ethyl]phenyl]acetamide
CID 115894505
N-[3-[1-(2-ethylsulfinylethylamino)ethyl]phenyl]acetamide
CID 115718801

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[[2-ethyl-2-(hydroxymethyl)butyl]amino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[[2-ethyl-2-(hydroxymethyl)butyl]amino]ethyl]phenyl]acetamide (CID 81399857) is N-[3-[1-[[2-ethyl-2-(hydroxymethyl)butyl]amino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[[2-ethyl-2-(hydroxymethyl)butyl]amino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[[2-ethyl-2-(hydroxymethyl)butyl]amino]ethyl]phenyl]acetamide is CCC(CC)(CO)CNC(C)c1cccc(NC(C)=O)c1.
What is the InChIKey of N-[3-[1-[[2-ethyl-2-(hydroxymethyl)butyl]amino]ethyl]phenyl]acetamide?
The InChIKey is GQGRAZCNSPNWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-17(6-2,12-20)11-18-13(3)15-8-7-9-16(10-15)19-14(4)21/h7-10,13,18,20H,5-6,11-12H2,1-4H3,(H,19,21).
What are the key properties of N-[3-[1-[[2-ethyl-2-(hydroxymethyl)butyl]amino]ethyl]phenyl]acetamide?
N-[3-[1-[[2-ethyl-2-(hydroxymethyl)butyl]amino]ethyl]phenyl]acetamide has a molecular weight of 292.42 g/mol, XLogP of 3.09, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[[2-ethyl-2-(hydroxymethyl)butyl]amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 81399857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).