2-amino-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]acetamide

C17H27N3O3 — CID 119875630

IUPAC2-amino-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]acetamide
SMILESCN(CCOc1cccc(CNC(=O)CN)c1)C1CCOCC1
InChIInChI=1S/C17H27N3O3/c1-20(15-5-8-22-9-6-15)7-10-23-16-4-2-3-14(11-16)13-19-17(21)12-18/h2-4,11,15H,5-10,12-13,18H2,1H3,(H,19,21)
InChIKeyLZXGIKORCOSKBG-UHFFFAOYSA-N
MW321.42 g/mol
LogP0.75
Rot. Bonds8

About 2-amino-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]acetamide

2-amino-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]acetamide (PubChem CID 119875630) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-amino-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]acetamide
PubChem CID119875630
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name2-amino-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]acetamide
SMILESCN(CCOc1cccc(CNC(=O)CN)c1)C1CCOCC1
InChIInChI=1S/C17H27N3O3/c1-20(15-5-8-22-9-6-15)7-10-23-16-4-2-3-14(11-16)13-19-17(21)12-18/h2-4,11,15H,5-10,12-13,18H2,1H3,(H,19,21)
InChIKeyLZXGIKORCOSKBG-UHFFFAOYSA-N
XLogP0.75
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-methyl-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]propanamide;dihydrochloride
CID 119875609
1-amino-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]cyclopentane-1-carboxamide
CID 119875616
1-(cyclopropylmethyl)-2-methyl-3-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]guanidine
CID 111868180
2-methyl-1-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111006254
3-[2-[methyl(oxan-4-yl)amino]ethoxy]benzohydrazide
CID 63573326
N-methyl-N-[2-[3-[(pyridin-4-ylmethylamino)methyl]phenoxy]ethyl]oxan-4-amine
CID 119113268
2-methyl-1-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]-3-prop-2-enylguanidine;hydroiodide
CID 110982432
1,2-dimethyl-3-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]-1-(oxolan-3-ylmethyl)guanidine
CID 109382384
2-methyl-1-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109474015
2-methyl-1-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]-3-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111360008
1-ethyl-2-[(3-fluorophenyl)methyl]-3-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]guanidine
CID 111876667
2-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]-1-(2-methylpropyl)guanidine
CID 111099556

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]acetamide (CID 119875630) is 2-amino-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]acetamide is CN(CCOc1cccc(CNC(=O)CN)c1)C1CCOCC1.
What is the InChIKey of 2-amino-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]acetamide?
The InChIKey is LZXGIKORCOSKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-20(15-5-8-22-9-6-15)7-10-23-16-4-2-3-14(11-16)13-19-17(21)12-18/h2-4,11,15H,5-10,12-13,18H2,1H3,(H,19,21).
What are the key properties of 2-amino-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]acetamide?
2-amino-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]acetamide has a molecular weight of 321.42 g/mol, XLogP of 0.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]acetamide is sourced from PubChem (CID 119875630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).