2-[4-[[(2-hydroxy-3-methylbutyl)amino]methyl]phenoxy]acetamide

C14H22N2O3 — CID 115630578

IUPAC2-[4-[[(2-hydroxy-3-methylbutyl)amino]methyl]phenoxy]acetamide
SMILESCC(C)C(O)CNCc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C14H22N2O3/c1-10(2)13(17)8-16-7-11-3-5-12(6-4-11)19-9-14(15)18/h3-6,10,13,16-17H,7-9H2,1-2H3,(H2,15,18)
InChIKeyBBSHVIWPSWFGPP-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.66
Rot. Bonds8

About 2-[4-[[(2-hydroxy-3-methylbutyl)amino]methyl]phenoxy]acetamide

2-[4-[[(2-hydroxy-3-methylbutyl)amino]methyl]phenoxy]acetamide (PubChem CID 115630578) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[4-[[(2-hydroxy-3-methylbutyl)amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[[(2-hydroxy-3-methylbutyl)amino]methyl]phenoxy]acetamide
PubChem CID115630578
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[4-[[(2-hydroxy-3-methylbutyl)amino]methyl]phenoxy]acetamide
SMILESCC(C)C(O)CNCc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C14H22N2O3/c1-10(2)13(17)8-16-7-11-3-5-12(6-4-11)19-9-14(15)18/h3-6,10,13,16-17H,7-9H2,1-2H3,(H2,15,18)
InChIKeyBBSHVIWPSWFGPP-UHFFFAOYSA-N
XLogP0.66
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[(2-hydroxy-3-methylbutyl)amino]methyl]phenoxy]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-[(2,3-dimethylbutylamino)methyl]phenoxy]acetamide
CID 64568674
1-[(4-butoxyphenyl)methylamino]-3-methylbutan-2-ol
CID 115630592
2-[4-[(2,2,3-trimethylbutylamino)methyl]phenoxy]acetamide
CID 102609863
3-methyl-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methylamino]butan-2-ol
CID 111422011
2-[4-[(2,2-dimethylpropylamino)methyl]phenoxy]acetamide
CID 61166013
(2S)-2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]propanamide
CID 39756608
2-[4-(2-hydroxypropyl)phenoxy]acetamide
CID 115495800
2-[4-[(2-methylpropylamino)methyl]phenoxy]-N-propan-2-ylacetamide
CID 63062886
2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]ethyl carbamate
CID 83211507
methyl 4-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]butanoate
CID 60782524
2-[4-[2-(methylamino)propyl]phenoxy]acetamide
CID 115494731
2-[4-[(furan-3-ylmethylamino)methyl]phenoxy]acetamide
CID 115585264

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2-hydroxy-3-methylbutyl)amino]methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[[(2-hydroxy-3-methylbutyl)amino]methyl]phenoxy]acetamide (CID 115630578) is 2-[4-[[(2-hydroxy-3-methylbutyl)amino]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[[(2-hydroxy-3-methylbutyl)amino]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[[(2-hydroxy-3-methylbutyl)amino]methyl]phenoxy]acetamide is CC(C)C(O)CNCc1ccc(OCC(N)=O)cc1.
What is the InChIKey of 2-[4-[[(2-hydroxy-3-methylbutyl)amino]methyl]phenoxy]acetamide?
The InChIKey is BBSHVIWPSWFGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(2)13(17)8-16-7-11-3-5-12(6-4-11)19-9-14(15)18/h3-6,10,13,16-17H,7-9H2,1-2H3,(H2,15,18).
What are the key properties of 2-[4-[[(2-hydroxy-3-methylbutyl)amino]methyl]phenoxy]acetamide?
2-[4-[[(2-hydroxy-3-methylbutyl)amino]methyl]phenoxy]acetamide has a molecular weight of 266.34 g/mol, XLogP of 0.66, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2-hydroxy-3-methylbutyl)amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 115630578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).