(2S)-2-[(1R,2S)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(pyridin-3-ylmethyl)propanamide

C22H28N2O3 — CID 11867330

IUPAC(2S)-2-[(1R,2S)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(pyridin-3-ylmethyl)propanamide
SMILESCOc1cc(C)c2c(c1C)[C@H](O)[C@H]([C@H](C)C(=O)NCc1cccnc1)CC2
InChIInChI=1S/C22H28N2O3/c1-13-10-19(27-4)15(3)20-17(13)7-8-18(21(20)25)14(2)22(26)24-12-16-6-5-9-23-11-16/h5-6,9-11,14,18,21,25H,7-8,12H2,1-4H3,(H,24,26)/t14-,18-,21+/m0/s1
InChIKeyXZVNOPHFZHJSRL-DHUIEDIVSA-N
MW368.48 g/mol
LogP3.26
Rot. Bonds5

About (2S)-2-[(1R,2S)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(pyridin-3-ylmethyl)propanamide

(2S)-2-[(1R,2S)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 11867330) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is (2S)-2-[(1R,2S)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(1R,2S)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID11867330
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name(2S)-2-[(1R,2S)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(pyridin-3-ylmethyl)propanamide
SMILESCOc1cc(C)c2c(c1C)[C@H](O)[C@H]([C@H](C)C(=O)NCc1cccnc1)CC2
InChIInChI=1S/C22H28N2O3/c1-13-10-19(27-4)15(3)20-17(13)7-8-18(21(20)25)14(2)22(26)24-12-16-6-5-9-23-11-16/h5-6,9-11,14,18,21,25H,7-8,12H2,1-4H3,(H,24,26)/t14-,18-,21+/m0/s1
InChIKeyXZVNOPHFZHJSRL-DHUIEDIVSA-N
XLogP3.26
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(1R,2S)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(pyridin-3-ylmethyl)propanamide with MolForge

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Related Compounds

(2S)-2-[(1R,2R)-1-hydroxy-5,8-dimethyl-7-(pyridin-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(2-piperidin-1-ylethyl)propanamide
CID 73426808
(2S)-2-[(1R,2S)-1-hydroxy-5,8-dimethyl-7-(pyridin-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one
CID 11867349
2-(oxan-4-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 91918211
(2S)-N-benzyl-2-[(1R)-1-hydroxy-5,8-dimethyl-7-prop-2-enoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylpropanamide
CID 44716767
1-[(3-methoxy-4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)urea
CID 60569732
2-N-[(3,4-dimethoxyphenyl)methyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137034
(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 40690950
1-(2-methoxy-5-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 3797502
2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 21366996
2-(2-methoxy-5-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 110767628
4-methoxy-N,N-dimethyl-3-(pyridin-3-ylmethylcarbamoylamino)benzamide
CID 60543450
N-[(3,4-dimethoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947614

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1R,2S)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of (2S)-2-[(1R,2S)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(pyridin-3-ylmethyl)propanamide (CID 11867330) is (2S)-2-[(1R,2S)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-[(1R,2S)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-[(1R,2S)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(pyridin-3-ylmethyl)propanamide is COc1cc(C)c2c(c1C)[C@H](O)[C@H]([C@H](C)C(=O)NCc1cccnc1)CC2.
What is the InChIKey of (2S)-2-[(1R,2S)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is XZVNOPHFZHJSRL-DHUIEDIVSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-13-10-19(27-4)15(3)20-17(13)7-8-18(21(20)25)14(2)22(26)24-12-16-6-5-9-23-11-16/h5-6,9-11,14,18,21,25H,7-8,12H2,1-4H3,(H,24,26)/t14-,18-,21+/m0/s1.
What are the key properties of (2S)-2-[(1R,2S)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(pyridin-3-ylmethyl)propanamide?
(2S)-2-[(1R,2S)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 368.48 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1R,2S)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 11867330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).