N-[[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenyl]methyl]-N-methylacetamide

C16H22N2O2 — CID 62066923

IUPACN-[[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenyl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1cccc(NCC2CCC=CO2)c1
InChIInChI=1S/C16H22N2O2/c1-13(19)18(2)12-14-6-5-7-15(10-14)17-11-16-8-3-4-9-20-16/h4-7,9-10,16-17H,3,8,11-12H2,1-2H3
InChIKeyGUNZKODFFVHPHO-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.77
Rot. Bonds5

About N-[[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenyl]methyl]-N-methylacetamide

N-[[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenyl]methyl]-N-methylacetamide (PubChem CID 62066923) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenyl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenyl]methyl]-N-methylacetamide
PubChem CID62066923
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenyl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1cccc(NCC2CCC=CO2)c1
InChIInChI=1S/C16H22N2O2/c1-13(19)18(2)12-14-6-5-7-15(10-14)17-11-16-8-3-4-9-20-16/h4-7,9-10,16-17H,3,8,11-12H2,1-2H3
InChIKeyGUNZKODFFVHPHO-UHFFFAOYSA-N
XLogP2.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[3-[(1-methylpiperidin-4-yl)methylamino]phenyl]methyl]acetamide
CID 62659590
N-[[3-(3,3-dimethylbutylamino)phenyl]methyl]-N-methylacetamide
CID 62950211
N-methyl-N-[[3-[(2-methyloxolan-3-yl)amino]phenyl]methyl]acetamide
CID 82726630
N-[[3-[(5-iodofuran-2-yl)methylamino]phenyl]methyl]-N-methylacetamide
CID 43786918
N-[[2-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]phenyl]methyl]-N-methylthiophene-2-carboxamide
CID 100686493
N-methyl-N-[[3-[(3-methylcyclobutyl)amino]phenyl]methyl]acetamide
CID 104860066
N-methyl-N-[[3-[(1-methylpiperidin-4-yl)amino]phenyl]methyl]acetamide
CID 43724368
N-(3,4-dihydro-2H-pyran-2-ylmethyl)thiophen-3-amine
CID 66350323
N-[[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methyl]-N-methylacetamide
CID 43724371
N-[[3-[(2-fluorophenyl)methylamino]phenyl]methyl]-N-methylacetamide
CID 43433505
N-methyl-N-[[3-(pyrazin-2-ylmethylamino)phenyl]methyl]acetamide
CID 62762354
N-methyl-N-[[3-(3-methylbutan-2-ylamino)phenyl]methyl]acetamide
CID 43724408

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenyl]methyl]-N-methylacetamide?
The IUPAC name of N-[[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenyl]methyl]-N-methylacetamide (CID 62066923) is N-[[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenyl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenyl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenyl]methyl]-N-methylacetamide is CC(=O)N(C)Cc1cccc(NCC2CCC=CO2)c1.
What is the InChIKey of N-[[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenyl]methyl]-N-methylacetamide?
The InChIKey is GUNZKODFFVHPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-13(19)18(2)12-14-6-5-7-15(10-14)17-11-16-8-3-4-9-20-16/h4-7,9-10,16-17H,3,8,11-12H2,1-2H3.
What are the key properties of N-[[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenyl]methyl]-N-methylacetamide?
N-[[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenyl]methyl]-N-methylacetamide has a molecular weight of 274.36 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenyl]methyl]-N-methylacetamide is sourced from PubChem (CID 62066923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).