2-[7-(2-methoxyethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[(4-methoxyphenyl)methyl]propanamide

C26H35NO4 — CID 3743524

IUPAC2-[7-(2-methoxyethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOCCOc1cc(C)c2c(c1C)CC(C(C)C(=O)NCc1ccc(OC)cc1)CC2
InChIInChI=1S/C26H35NO4/c1-17-14-25(31-13-12-29-4)19(3)24-15-21(8-11-23(17)24)18(2)26(28)27-16-20-6-9-22(30-5)10-7-20/h6-7,9-10,14,18,21H,8,11-13,15-16H2,1-5H3,(H,27,28)
InChIKeyHZFXTJJISFBXOP-UHFFFAOYSA-N
MW425.57 g/mol
LogP4.39
Rot. Bonds9

About 2-[7-(2-methoxyethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[(4-methoxyphenyl)methyl]propanamide

2-[7-(2-methoxyethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 3743524) has the molecular formula C26H35NO4 and a molecular weight of 425.57 g/mol. Its IUPAC name is 2-[7-(2-methoxyethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-[7-(2-methoxyethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID3743524
Molecular FormulaC26H35NO4
Molecular Weight425.57 g/mol
Exact Mass425.26
IUPAC Name2-[7-(2-methoxyethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOCCOc1cc(C)c2c(c1C)CC(C(C)C(=O)NCc1ccc(OC)cc1)CC2
InChIInChI=1S/C26H35NO4/c1-17-14-25(31-13-12-29-4)19(3)24-15-21(8-11-23(17)24)18(2)26(28)27-16-20-6-9-22(30-5)10-7-20/h6-7,9-10,14,18,21H,8,11-13,15-16H2,1-5H3,(H,27,28)
InChIKeyHZFXTJJISFBXOP-UHFFFAOYSA-N
XLogP4.39
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(2R)-7-(2-methoxy-2-oxoethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid
CID 26763396
2-[[7-[1-(cyclopropylamino)-1-oxopropan-2-yl]-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 3704249
(2S)-2-[(2R)-7-[2-(dimethylamino)ethoxy]-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid
CID 26763381
2-[[(7R)-7-[(2S)-1-anilino-1-oxopropan-2-yl]-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 7135426
(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)-N-tert-butyl-2-[(2R)-5,8-dimethyl-7-(2-morpholin-4-ium-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
CID 7135357
(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 175748311
(2R)-N-[(4-methoxyphenyl)methyl]-2-(2,3,5,6-tetramethylphenyl)sulfanylpropanamide
CID 7468528
1-[(4-methoxyphenyl)methyl]-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974425
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide
CID 22690461
N-[(4-methoxy-2-methylphenyl)methyl]-2-(oxan-4-yl)propanamide
CID 75433024
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 8594713

Frequently Asked Questions

What is the IUPAC name of 2-[7-(2-methoxyethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of 2-[7-(2-methoxyethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[(4-methoxyphenyl)methyl]propanamide (CID 3743524) is 2-[7-(2-methoxyethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-[7-(2-methoxyethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 2-[7-(2-methoxyethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[(4-methoxyphenyl)methyl]propanamide is COCCOc1cc(C)c2c(c1C)CC(C(C)C(=O)NCc1ccc(OC)cc1)CC2.
What is the InChIKey of 2-[7-(2-methoxyethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is HZFXTJJISFBXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO4/c1-17-14-25(31-13-12-29-4)19(3)24-15-21(8-11-23(17)24)18(2)26(28)27-16-20-6-9-22(30-5)10-7-20/h6-7,9-10,14,18,21H,8,11-13,15-16H2,1-5H3,(H,27,28).
What are the key properties of 2-[7-(2-methoxyethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[(4-methoxyphenyl)methyl]propanamide?
2-[7-(2-methoxyethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 425.57 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2-methoxyethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 3743524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).