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

C24H31NO3 — CID 26763357

IUPAC(2S)-N-benzyl-2-[(1R,2R)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylpropanamide
SMILESCOc1cc(C)c2c(c1C)[C@H](O)[C@@H]([C@H](C)C(=O)N(C)Cc1ccccc1)CC2
InChIInChI=1S/C24H31NO3/c1-15-13-21(28-5)17(3)22-19(15)11-12-20(23(22)26)16(2)24(27)25(4)14-18-9-7-6-8-10-18/h6-10,13,16,20,23,26H,11-12,14H2,1-5H3/t16-,20+,23+/m0/s1
InChIKeyFHRKBQPOQZAXGE-LERMDLETSA-N
MW381.52 g/mol
LogP4.20
Rot. Bonds5

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

(2S)-N-benzyl-2-[(1R,2R)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylpropanamide (PubChem CID 26763357) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is (2S)-N-benzyl-2-[(1R,2R)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-[(1R,2R)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylpropanamide
PubChem CID26763357
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Name(2S)-N-benzyl-2-[(1R,2R)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylpropanamide
SMILESCOc1cc(C)c2c(c1C)[C@H](O)[C@@H]([C@H](C)C(=O)N(C)Cc1ccccc1)CC2
InChIInChI=1S/C24H31NO3/c1-15-13-21(28-5)17(3)22-19(15)11-12-20(23(22)26)16(2)24(27)25(4)14-18-9-7-6-8-10-18/h6-10,13,16,20,23,26H,11-12,14H2,1-5H3/t16-,20+,23+/m0/s1
InChIKeyFHRKBQPOQZAXGE-LERMDLETSA-N
XLogP4.20
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

(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
(2S)-2-[(1R,2R)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methyl-N-prop-2-enylpropanamide
CID 11883209
(2S)-2-[(1R)-1-hydroxy-7-(2-methoxyethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(2-methoxyethyl)propanamide
CID 45361345
(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
7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 10954731
(2R)-N-benzyl-2-(2,3-dimethylphenoxy)-N-methylpropanamide
CID 28631292
N-benzyl-2-methoxy-N-methylpropanamide
CID 112685507
(2S)-2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid
CID 7018317
N-benzyl-2-(4-chloro-2-methylphenoxy)-N-methylpropanamide
CID 112787380
(2S)-N-benzyl-2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-methylpropanamide
CID 7643030
(2R)-N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-methylpropanamide
CID 8004755
(2S)-2-amino-N-benzyl-3-cyclopropyl-N-methylpropanamide
CID 130520934

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-[(1R,2R)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylpropanamide?
The IUPAC name of (2S)-N-benzyl-2-[(1R,2R)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylpropanamide (CID 26763357) is (2S)-N-benzyl-2-[(1R,2R)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylpropanamide.
What is the SMILES notation for (2S)-N-benzyl-2-[(1R,2R)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylpropanamide?
The canonical SMILES for (2S)-N-benzyl-2-[(1R,2R)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylpropanamide is COc1cc(C)c2c(c1C)[C@H](O)[C@@H]([C@H](C)C(=O)N(C)Cc1ccccc1)CC2.
What is the InChIKey of (2S)-N-benzyl-2-[(1R,2R)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylpropanamide?
The InChIKey is FHRKBQPOQZAXGE-LERMDLETSA-N. The full InChI is InChI=1S/C24H31NO3/c1-15-13-21(28-5)17(3)22-19(15)11-12-20(23(22)26)16(2)24(27)25(4)14-18-9-7-6-8-10-18/h6-10,13,16,20,23,26H,11-12,14H2,1-5H3/t16-,20+,23+/m0/s1.
What are the key properties of (2S)-N-benzyl-2-[(1R,2R)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylpropanamide?
(2S)-N-benzyl-2-[(1R,2R)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylpropanamide has a molecular weight of 381.52 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-[(1R,2R)-1-hydroxy-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methylpropanamide is sourced from PubChem (CID 26763357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).