2-[2,6-dimethoxy-4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenoxy]acetamide

C21H32N2O4 — CID 47013658

IUPAC2-[2,6-dimethoxy-4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenoxy]acetamide
SMILESCOc1cc(CNC2CC3CCC2(C)C3(C)C)cc(OC)c1OCC(N)=O
InChIInChI=1S/C21H32N2O4/c1-20(2)14-6-7-21(20,3)17(10-14)23-11-13-8-15(25-4)19(16(9-13)26-5)27-12-18(22)24/h8-9,14,17,23H,6-7,10-12H2,1-5H3,(H2,22,24)
InChIKeyVAJGJYLFDPVDEK-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.87
Rot. Bonds8

About 2-[2,6-dimethoxy-4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenoxy]acetamide

2-[2,6-dimethoxy-4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenoxy]acetamide (PubChem CID 47013658) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-[2,6-dimethoxy-4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2,6-dimethoxy-4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenoxy]acetamide
PubChem CID47013658
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Name2-[2,6-dimethoxy-4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenoxy]acetamide
SMILESCOc1cc(CNC2CC3CCC2(C)C3(C)C)cc(OC)c1OCC(N)=O
InChIInChI=1S/C21H32N2O4/c1-20(2)14-6-7-21(20,3)17(10-14)23-11-13-8-15(25-4)19(16(9-13)26-5)27-12-18(22)24/h8-9,14,17,23H,6-7,10-12H2,1-5H3,(H2,22,24)
InChIKeyVAJGJYLFDPVDEK-UHFFFAOYSA-N
XLogP2.87
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2,6-dimethoxy-4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenoxy]acetamide with MolForge

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Related Compounds

2-[2-chloro-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]acetamide
CID 4720907
N-[(3-methoxyphenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 43220941
N-methyl-4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]benzamide
CID 78849595
2-[2-chloro-6-methoxy-4-[[(1-methylcyclopropyl)methylamino]methyl]phenoxy]acetamide
CID 103724240
2-[2-chloro-6-methoxy-4-[[(1-methylcyclohexyl)amino]methyl]phenoxy]acetamide
CID 119113223
1,7,7-trimethyl-N-(pyridin-4-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 43222723
2-[2-chloro-4-[(cyclobutylmethylamino)methyl]-6-methoxyphenoxy]acetamide
CID 43298481
2-[2-chloro-6-methoxy-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenoxy]acetamide
CID 119163902
2-[4-[(1-adamantylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide chloride
CID 21233301
(1S)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 139370439
2-[2-chloro-6-methoxy-4-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenoxy]acetamide
CID 119122825
N-(4-bromo-3-methoxyphenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 82857334

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dimethoxy-4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenoxy]acetamide?
The IUPAC name of 2-[2,6-dimethoxy-4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenoxy]acetamide (CID 47013658) is 2-[2,6-dimethoxy-4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2,6-dimethoxy-4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[2,6-dimethoxy-4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenoxy]acetamide is COc1cc(CNC2CC3CCC2(C)C3(C)C)cc(OC)c1OCC(N)=O.
What is the InChIKey of 2-[2,6-dimethoxy-4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenoxy]acetamide?
The InChIKey is VAJGJYLFDPVDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-20(2)14-6-7-21(20,3)17(10-14)23-11-13-8-15(25-4)19(16(9-13)26-5)27-12-18(22)24/h8-9,14,17,23H,6-7,10-12H2,1-5H3,(H2,22,24).
What are the key properties of 2-[2,6-dimethoxy-4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenoxy]acetamide?
2-[2,6-dimethoxy-4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenoxy]acetamide has a molecular weight of 376.50 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dimethoxy-4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 47013658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).