2-amino-2-methyl-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]propanamide;dihydrochloride

C19H33Cl2N3O3 — CID 119875609

IUPAC2-amino-2-methyl-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]propanamide;dihydrochloride
SMILESCN(CCOc1cccc(CNC(=O)C(C)(C)N)c1)C1CCOCC1.Cl.Cl
InChIInChI=1S/C19H31N3O3.2ClH/c1-19(2,20)18(23)21-14-15-5-4-6-17(13-15)25-12-9-22(3)16-7-10-24-11-8-16;;/h4-6,13,16H,7-12,14,20H2,1-3H3,(H,21,23);2*1H
InChIKeyCAFMXOAQYQVAEU-UHFFFAOYSA-N
MW422.40 g/mol
LogP2.37
Rot. Bonds8

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

2-amino-2-methyl-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]propanamide;dihydrochloride (PubChem CID 119875609) has the molecular formula C19H33Cl2N3O3 and a molecular weight of 422.40 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]propanamide;dihydrochloride
PubChem CID119875609
Molecular FormulaC19H33Cl2N3O3
Molecular Weight422.40 g/mol
Exact Mass421.19
IUPAC Name2-amino-2-methyl-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]propanamide;dihydrochloride
SMILESCN(CCOc1cccc(CNC(=O)C(C)(C)N)c1)C1CCOCC1.Cl.Cl
InChIInChI=1S/C19H31N3O3.2ClH/c1-19(2,20)18(23)21-14-15-5-4-6-17(13-15)25-12-9-22(3)16-7-10-24-11-8-16;;/h4-6,13,16H,7-12,14,20H2,1-3H3,(H,21,23);2*1H
InChIKeyCAFMXOAQYQVAEU-UHFFFAOYSA-N
XLogP2.37
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.40
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]acetamide
CID 119875630
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-(2-methyl-2-methylsulfanylpropyl)-3-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]guanidine;hydroiodide
CID 111609539
3-[2-[methyl(oxan-4-yl)amino]ethoxy]benzohydrazide
CID 63573326
2-methyl-1-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109474015
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
2-methyl-1-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111006254
2-methyl-1-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]-3-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111360008
1,2-dimethyl-3-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]-1-(oxolan-3-ylmethyl)guanidine
CID 109382384
1-ethyl-2-[(3-fluorophenyl)methyl]-3-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]guanidine
CID 111876667

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]propanamide;dihydrochloride?
The IUPAC name of 2-amino-2-methyl-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]propanamide;dihydrochloride (CID 119875609) is 2-amino-2-methyl-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]propanamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-methyl-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]propanamide;dihydrochloride?
The canonical SMILES for 2-amino-2-methyl-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]propanamide;dihydrochloride is CN(CCOc1cccc(CNC(=O)C(C)(C)N)c1)C1CCOCC1.Cl.Cl.
What is the InChIKey of 2-amino-2-methyl-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]propanamide;dihydrochloride?
The InChIKey is CAFMXOAQYQVAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3.2ClH/c1-19(2,20)18(23)21-14-15-5-4-6-17(13-15)25-12-9-22(3)16-7-10-24-11-8-16;;/h4-6,13,16H,7-12,14,20H2,1-3H3,(H,21,23);2*1H.
What are the key properties of 2-amino-2-methyl-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]propanamide;dihydrochloride?
2-amino-2-methyl-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]propanamide;dihydrochloride has a molecular weight of 422.40 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[[3-[2-[methyl(oxan-4-yl)amino]ethoxy]phenyl]methyl]propanamide;dihydrochloride is sourced from PubChem (CID 119875609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).