2-[[4-benzyl-2,2-dimethyl-3-(methylamino)-3,4-dihydrochromen-6-yl]oxy]acetamide

C21H26N2O3 — CID 71245391

IUPAC2-[[4-benzyl-2,2-dimethyl-3-(methylamino)-3,4-dihydrochromen-6-yl]oxy]acetamide
SMILESCNC1C(Cc2ccccc2)c2cc(OCC(N)=O)ccc2OC1(C)C
InChIInChI=1S/C21H26N2O3/c1-21(2)20(23-3)17(11-14-7-5-4-6-8-14)16-12-15(25-13-19(22)24)9-10-18(16)26-21/h4-10,12,17,20,23H,11,13H2,1-3H3,(H2,22,24)
InChIKeyGVTZJFKHCVJFFJ-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.64
Rot. Bonds6

About 2-[[4-benzyl-2,2-dimethyl-3-(methylamino)-3,4-dihydrochromen-6-yl]oxy]acetamide

2-[[4-benzyl-2,2-dimethyl-3-(methylamino)-3,4-dihydrochromen-6-yl]oxy]acetamide (PubChem CID 71245391) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[[4-benzyl-2,2-dimethyl-3-(methylamino)-3,4-dihydrochromen-6-yl]oxy]acetamide.

Molecular Properties

Compound Name2-[[4-benzyl-2,2-dimethyl-3-(methylamino)-3,4-dihydrochromen-6-yl]oxy]acetamide
PubChem CID71245391
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-[[4-benzyl-2,2-dimethyl-3-(methylamino)-3,4-dihydrochromen-6-yl]oxy]acetamide
SMILESCNC1C(Cc2ccccc2)c2cc(OCC(N)=O)ccc2OC1(C)C
InChIInChI=1S/C21H26N2O3/c1-21(2)20(23-3)17(11-14-7-5-4-6-8-14)16-12-15(25-13-19(22)24)9-10-18(16)26-21/h4-10,12,17,20,23H,11,13H2,1-3H3,(H2,22,24)
InChIKeyGVTZJFKHCVJFFJ-UHFFFAOYSA-N
XLogP2.64
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[(3R,4R)-4-benzyl-2,2-dimethyl-3-(methylamino)-3,4-dihydrochromen-6-yl]oxy]ethyl]-1-cyclopropylmethanesulfonamide
CID 71245593
N-(3-methoxy-2,2-dimethyl-6-phenylmethoxy-3,4-dihydrochromen-4-yl)-N-methylmethanesulfonamide
CID 19593330
(2S,4aS,10bS)-2,5,5-trimethyl-9-phenylmethoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene
CID 110145787
2-[3-(2-phenylethylamino)phenoxy]acetamide
CID 43720190
(2R,4aS,10bS)-5,5-dimethyl-2-phenyl-9-phenylmethoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene
CID 110146068
methyl 2-[(2,2-dimethyl-6-phenylmethoxy-3,4-dihydrochromen-4-yl)-methylsulfonylamino]acetate
CID 59941055
2-[(2S,4aR,10bR)-5,5-dimethyl-9-phenylmethoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromen-2-yl]-N-(4-bromophenyl)sulfonylacetamide
CID 110166269
2-[[2-[(2S,4aR,10bR)-5,5-dimethyl-9-phenylmethoxy-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromen-2-yl]acetyl]-benzylamino]acetic acid
CID 110155453
2-[[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide;hydrochloride
CID 57467200
N-[3-hydroxy-2,2-dimethyl-6-(trifluoromethoxy)-3,4-dihydrochromen-4-yl]furan-2-carboxamide
CID 19824178
potassium;hydride;2-phenoxyacetamide
CID 175513799
[6-(benzylamino)-2,2-dimethyl-4-propan-2-yloxy-3,4-dihydrochromen-3-yl] benzoate
CID 20804579

Frequently Asked Questions

What is the IUPAC name of 2-[[4-benzyl-2,2-dimethyl-3-(methylamino)-3,4-dihydrochromen-6-yl]oxy]acetamide?
The IUPAC name of 2-[[4-benzyl-2,2-dimethyl-3-(methylamino)-3,4-dihydrochromen-6-yl]oxy]acetamide (CID 71245391) is 2-[[4-benzyl-2,2-dimethyl-3-(methylamino)-3,4-dihydrochromen-6-yl]oxy]acetamide.
What is the SMILES notation for 2-[[4-benzyl-2,2-dimethyl-3-(methylamino)-3,4-dihydrochromen-6-yl]oxy]acetamide?
The canonical SMILES for 2-[[4-benzyl-2,2-dimethyl-3-(methylamino)-3,4-dihydrochromen-6-yl]oxy]acetamide is CNC1C(Cc2ccccc2)c2cc(OCC(N)=O)ccc2OC1(C)C.
What is the InChIKey of 2-[[4-benzyl-2,2-dimethyl-3-(methylamino)-3,4-dihydrochromen-6-yl]oxy]acetamide?
The InChIKey is GVTZJFKHCVJFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-21(2)20(23-3)17(11-14-7-5-4-6-8-14)16-12-15(25-13-19(22)24)9-10-18(16)26-21/h4-10,12,17,20,23H,11,13H2,1-3H3,(H2,22,24).
What are the key properties of 2-[[4-benzyl-2,2-dimethyl-3-(methylamino)-3,4-dihydrochromen-6-yl]oxy]acetamide?
2-[[4-benzyl-2,2-dimethyl-3-(methylamino)-3,4-dihydrochromen-6-yl]oxy]acetamide has a molecular weight of 354.45 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-benzyl-2,2-dimethyl-3-(methylamino)-3,4-dihydrochromen-6-yl]oxy]acetamide is sourced from PubChem (CID 71245391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).