2-[2-[[[(2S,3R)-2-tert-butyloxolan-3-yl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide

C20H32N2O3 — CID 129001467

IUPAC2-[2-[[[(2S,3R)-2-tert-butyloxolan-3-yl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1ccccc1CNC[C@H]1CCO[C@@H]1C(C)(C)C
InChIInChI=1S/C20H32N2O3/c1-20(2,3)19-16(10-11-24-19)13-21-12-15-8-6-7-9-17(15)25-14-18(23)22(4)5/h6-9,16,19,21H,10-14H2,1-5H3/t16-,19+/m1/s1
InChIKeyUJEXLBBPDBAHMQ-APWZRJJASA-N
MW348.49 g/mol
LogP2.69
Rot. Bonds7

About 2-[2-[[[(2S,3R)-2-tert-butyloxolan-3-yl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide

2-[2-[[[(2S,3R)-2-tert-butyloxolan-3-yl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide (PubChem CID 129001467) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-[2-[[[(2S,3R)-2-tert-butyloxolan-3-yl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-[[[(2S,3R)-2-tert-butyloxolan-3-yl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide
PubChem CID129001467
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name2-[2-[[[(2S,3R)-2-tert-butyloxolan-3-yl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1ccccc1CNC[C@H]1CCO[C@@H]1C(C)(C)C
InChIInChI=1S/C20H32N2O3/c1-20(2,3)19-16(10-11-24-19)13-21-12-15-8-6-7-9-17(15)25-14-18(23)22(4)5/h6-9,16,19,21H,10-14H2,1-5H3/t16-,19+/m1/s1
InChIKeyUJEXLBBPDBAHMQ-APWZRJJASA-N
XLogP2.69
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[[(2R)-4-ethylmorpholin-2-yl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide
CID 95613023
2-[2-[[[(3S)-3,4-dihydro-2H-chromen-3-yl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide
CID 52504042
4-[[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]methylamino]-2,2-dimethylbutanoic acid
CID 122126933
N-cyclopropyl-N-ethyl-2-[2-(ethylaminomethyl)phenoxy]acetamide
CID 61487903
2-[2-[[[(2R)-oxolan-2-yl]methylamino]methyl]phenoxy]acetic acid
CID 95003278
1-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-[2-(methoxymethyl)phenyl]urea
CID 99827847
1-[(2-tert-butyloxan-3-yl)methyl]-2-methyl-3-[(2-prop-2-enoxyphenyl)methyl]guanidine;hydroiodide
CID 111983126
1-[(2-tert-butyloxan-3-yl)methyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
CID 111623272
2-[2-[[[2-(dimethylamino)-4-pyridinyl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide
CID 47615357
2-[2-[(tert-butylamino)methyl]phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 63063750
N-(cyclopropylmethyl)-2-[2-(ethylaminomethyl)phenoxy]acetamide
CID 43277250
N,N-dimethyl-3-[2-(methylaminomethyl)phenoxy]propanamide
CID 54879203

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[[(2S,3R)-2-tert-butyloxolan-3-yl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-[[[(2S,3R)-2-tert-butyloxolan-3-yl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide (CID 129001467) is 2-[2-[[[(2S,3R)-2-tert-butyloxolan-3-yl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-[[[(2S,3R)-2-tert-butyloxolan-3-yl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-[[[(2S,3R)-2-tert-butyloxolan-3-yl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide is CN(C)C(=O)COc1ccccc1CNC[C@H]1CCO[C@@H]1C(C)(C)C.
What is the InChIKey of 2-[2-[[[(2S,3R)-2-tert-butyloxolan-3-yl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide?
The InChIKey is UJEXLBBPDBAHMQ-APWZRJJASA-N. The full InChI is InChI=1S/C20H32N2O3/c1-20(2,3)19-16(10-11-24-19)13-21-12-15-8-6-7-9-17(15)25-14-18(23)22(4)5/h6-9,16,19,21H,10-14H2,1-5H3/t16-,19+/m1/s1.
What are the key properties of 2-[2-[[[(2S,3R)-2-tert-butyloxolan-3-yl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide?
2-[2-[[[(2S,3R)-2-tert-butyloxolan-3-yl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide has a molecular weight of 348.49 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[[(2S,3R)-2-tert-butyloxolan-3-yl]methylamino]methyl]phenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 129001467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).