2-[5,8-dimethyl-7-(2-morpholin-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-morpholin-4-ylpropan-1-one

C25H38N2O4 — CID 78450062

IUPAC2-[5,8-dimethyl-7-(2-morpholin-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1cc(OCCN2CCOCC2)c(C)c2c1CCC(C(C)C(=O)N1CCOCC1)C2
InChIInChI=1S/C25H38N2O4/c1-18-16-24(31-15-8-26-6-11-29-12-7-26)20(3)23-17-21(4-5-22(18)23)19(2)25(28)27-9-13-30-14-10-27/h16,19,21H,4-15,17H2,1-3H3
InChIKeyMURWICCYIKIFFU-UHFFFAOYSA-N
MW430.59 g/mol
LogP2.61
Rot. Bonds6

About 2-[5,8-dimethyl-7-(2-morpholin-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-morpholin-4-ylpropan-1-one

2-[5,8-dimethyl-7-(2-morpholin-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 78450062) has the molecular formula C25H38N2O4 and a molecular weight of 430.59 g/mol. Its IUPAC name is 2-[5,8-dimethyl-7-(2-morpholin-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[5,8-dimethyl-7-(2-morpholin-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID78450062
Molecular FormulaC25H38N2O4
Molecular Weight430.59 g/mol
Exact Mass430.28
IUPAC Name2-[5,8-dimethyl-7-(2-morpholin-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1cc(OCCN2CCOCC2)c(C)c2c1CCC(C(C)C(=O)N1CCOCC1)C2
InChIInChI=1S/C25H38N2O4/c1-18-16-24(31-15-8-26-6-11-29-12-7-26)20(3)23-17-21(4-5-22(18)23)19(2)25(28)27-9-13-30-14-10-27/h16,19,21H,4-15,17H2,1-3H3
InChIKeyMURWICCYIKIFFU-UHFFFAOYSA-N
XLogP2.61
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5,8-dimethyl-7-(2-morpholin-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
CID 3725859
2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 134787155
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-1-one
CID 134787221
(2S)-2-[(2R)-7-[2-(dimethylamino)ethoxy]-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid
CID 26763381
(2S)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide
CID 7135455
(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-[(2R)-7-(2-methoxy-2-oxoethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid
CID 26763396
(2S)-2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid
CID 7018317
4-[2-(2,3,5-trimethylphenoxy)ethyl]morpholine
CID 868362
(2S)-2-[(2R)-5,8-dimethyl-7-(2-morpholin-4-ium-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-N-pyridin-2-ylpropanamide
CID 7051561
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-methoxyethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 7135446

Frequently Asked Questions

What is the IUPAC name of 2-[5,8-dimethyl-7-(2-morpholin-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[5,8-dimethyl-7-(2-morpholin-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-morpholin-4-ylpropan-1-one (CID 78450062) is 2-[5,8-dimethyl-7-(2-morpholin-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[5,8-dimethyl-7-(2-morpholin-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[5,8-dimethyl-7-(2-morpholin-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-morpholin-4-ylpropan-1-one is Cc1cc(OCCN2CCOCC2)c(C)c2c1CCC(C(C)C(=O)N1CCOCC1)C2.
What is the InChIKey of 2-[5,8-dimethyl-7-(2-morpholin-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is MURWICCYIKIFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2O4/c1-18-16-24(31-15-8-26-6-11-29-12-7-26)20(3)23-17-21(4-5-22(18)23)19(2)25(28)27-9-13-30-14-10-27/h16,19,21H,4-15,17H2,1-3H3.
What are the key properties of 2-[5,8-dimethyl-7-(2-morpholin-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-morpholin-4-ylpropan-1-one?
2-[5,8-dimethyl-7-(2-morpholin-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 430.59 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,8-dimethyl-7-(2-morpholin-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 78450062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).