2-[3-[[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]phenoxy]acetamide

C20H24N2O3 — CID 75431930

IUPAC2-[3-[[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]phenoxy]acetamide
SMILESCOc1ccc2c(c1)CC(NCc1cccc(OCC(N)=O)c1)CC2
InChIInChI=1S/C20H24N2O3/c1-24-18-8-6-15-5-7-17(10-16(15)11-18)22-12-14-3-2-4-19(9-14)25-13-20(21)23/h2-4,6,8-9,11,17,22H,5,7,10,12-13H2,1H3,(H2,21,23)
InChIKeyNFIMQIHTTYGXCR-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.21
Rot. Bonds7

About 2-[3-[[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]phenoxy]acetamide

2-[3-[[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]phenoxy]acetamide (PubChem CID 75431930) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[3-[[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]phenoxy]acetamide
PubChem CID75431930
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-[3-[[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]phenoxy]acetamide
SMILESCOc1ccc2c(c1)CC(NCc1cccc(OCC(N)=O)c1)CC2
InChIInChI=1S/C20H24N2O3/c1-24-18-8-6-15-5-7-17(10-16(15)11-18)22-12-14-3-2-4-19(9-14)25-13-20(21)23/h2-4,6,8-9,11,17,22H,5,7,10,12-13H2,1H3,(H2,21,23)
InChIKeyNFIMQIHTTYGXCR-UHFFFAOYSA-N
XLogP2.21
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]phenoxy]acetamide?
The IUPAC name of 2-[3-[[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]phenoxy]acetamide (CID 75431930) is 2-[3-[[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[3-[[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]phenoxy]acetamide is COc1ccc2c(c1)CC(NCc1cccc(OCC(N)=O)c1)CC2.
What is the InChIKey of 2-[3-[[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]phenoxy]acetamide?
The InChIKey is NFIMQIHTTYGXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-24-18-8-6-15-5-7-17(10-16(15)11-18)22-12-14-3-2-4-19(9-14)25-13-20(21)23/h2-4,6,8-9,11,17,22H,5,7,10,12-13H2,1H3,(H2,21,23).
What are the key properties of 2-[3-[[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]phenoxy]acetamide?
2-[3-[[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]phenoxy]acetamide has a molecular weight of 340.42 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 75431930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).