2-[[(7S)-7-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N,N-dimethylacetamide

C22H28N2O4 — CID 15453437

IUPAC2-[[(7S)-7-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1ccc2c(c1)C[C@@H](NCC(O)c1ccc(O)cc1)CC2
InChIInChI=1S/C22H28N2O4/c1-24(2)22(27)14-28-20-10-6-15-3-7-18(11-17(15)12-20)23-13-21(26)16-4-8-19(25)9-5-16/h4-6,8-10,12,18,21,23,25-26H,3,7,11,13-14H2,1-2H3/t18-,21?/m0/s1
InChIKeyBVVIJEAJJRGMGO-YMXDCFFPSA-N
MW384.48 g/mol
LogP2.04
Rot. Bonds7

About 2-[[(7S)-7-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N,N-dimethylacetamide

2-[[(7S)-7-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N,N-dimethylacetamide (PubChem CID 15453437) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[[(7S)-7-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(7S)-7-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N,N-dimethylacetamide
PubChem CID15453437
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-[[(7S)-7-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1ccc2c(c1)C[C@@H](NCC(O)c1ccc(O)cc1)CC2
InChIInChI=1S/C22H28N2O4/c1-24(2)22(27)14-28-20-10-6-15-3-7-18(11-17(15)12-20)23-13-21(26)16-4-8-19(25)9-5-16/h4-6,8-10,12,18,21,23,25-26H,3,7,11,13-14H2,1-2H3/t18-,21?/m0/s1
InChIKeyBVVIJEAJJRGMGO-YMXDCFFPSA-N
XLogP2.04
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(7S)-7-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(7S)-7-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N,N-dimethylacetamide (CID 15453437) is 2-[[(7S)-7-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(7S)-7-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(7S)-7-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N,N-dimethylacetamide is CN(C)C(=O)COc1ccc2c(c1)C[C@@H](NCC(O)c1ccc(O)cc1)CC2.
What is the InChIKey of 2-[[(7S)-7-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N,N-dimethylacetamide?
The InChIKey is BVVIJEAJJRGMGO-YMXDCFFPSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-24(2)22(27)14-28-20-10-6-15-3-7-18(11-17(15)12-20)23-13-21(26)16-4-8-19(25)9-5-16/h4-6,8-10,12,18,21,23,25-26H,3,7,11,13-14H2,1-2H3/t18-,21?/m0/s1.
What are the key properties of 2-[[(7S)-7-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N,N-dimethylacetamide?
2-[[(7S)-7-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N,N-dimethylacetamide has a molecular weight of 384.48 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(7S)-7-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N,N-dimethylacetamide is sourced from PubChem (CID 15453437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).