2-[2-[[[2-(dimethylamino)-4-pyridinyl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide

C19H26N4O2 — CID 47615357

IUPAC2-[2-[[[2-(dimethylamino)-4-pyridinyl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1ccccc1CNCc1ccnc(N(C)C)c1
InChIInChI=1S/C19H26N4O2/c1-22(2)18-11-15(9-10-21-18)12-20-13-16-7-5-6-8-17(16)25-14-19(24)23(3)4/h5-11,20H,12-14H2,1-4H3
InChIKeyGGOYOAKXQQFFKR-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.90
Rot. Bonds8

About 2-[2-[[[2-(dimethylamino)-4-pyridinyl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide

2-[2-[[[2-(dimethylamino)-4-pyridinyl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide (PubChem CID 47615357) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[2-[[[2-(dimethylamino)-4-pyridinyl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-[[[2-(dimethylamino)-4-pyridinyl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide
PubChem CID47615357
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-[2-[[[2-(dimethylamino)-4-pyridinyl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1ccccc1CNCc1ccnc(N(C)C)c1
InChIInChI=1S/C19H26N4O2/c1-22(2)18-11-15(9-10-21-18)12-20-13-16-7-5-6-8-17(16)25-14-19(24)23(3)4/h5-11,20H,12-14H2,1-4H3
InChIKeyGGOYOAKXQQFFKR-UHFFFAOYSA-N
XLogP1.90
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[(2-ethoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111881110
4-[[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]methylamino]-2,2-dimethylbutanoic acid
CID 122126933
N-[(2-methoxyphenyl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
CID 60760659
N,N-dimethyl-2-[2-[[[(2R,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]phenoxy]acetamide
CID 95290372
2-[2-[[[(2S,3R)-2-tert-butyloxolan-3-yl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide
CID 129001467
2-[2-[[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide
CID 52504042
2-[2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetic acid
CID 57411895
ethyl 6-[[2-(dimethylamino)-4-pyridinyl]methylamino]pyridine-3-carboxylate
CID 37297447
1-benzyl-3-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(2-hydroxyethyl)urea
CID 110896144
N,N-dimethyl-3-[2-(methylaminomethyl)phenoxy]propanamide
CID 54879203
2-[2-[(1,3-benzodioxol-5-ylmethylamino)methyl]phenoxy]-N-tert-butylacetamide
CID 17053223
2-(2-chlorophenoxy)-N,N-dimethylacetamide
CID 28639790

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[[2-(dimethylamino)-4-pyridinyl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-[[[2-(dimethylamino)-4-pyridinyl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide (CID 47615357) is 2-[2-[[[2-(dimethylamino)-4-pyridinyl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-[[[2-(dimethylamino)-4-pyridinyl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-[[[2-(dimethylamino)-4-pyridinyl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide is CN(C)C(=O)COc1ccccc1CNCc1ccnc(N(C)C)c1.
What is the InChIKey of 2-[2-[[[2-(dimethylamino)-4-pyridinyl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide?
The InChIKey is GGOYOAKXQQFFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-22(2)18-11-15(9-10-21-18)12-20-13-16-7-5-6-8-17(16)25-14-19(24)23(3)4/h5-11,20H,12-14H2,1-4H3.
What are the key properties of 2-[2-[[[2-(dimethylamino)-4-pyridinyl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide?
2-[2-[[[2-(dimethylamino)-4-pyridinyl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide has a molecular weight of 342.44 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[[2-(dimethylamino)-4-pyridinyl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 47615357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).