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

C27H43N3O4 — CID 3725859

IUPAC2-[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
SMILESCc1cc(OCCN2CCOCC2)c(C)c2c1CCC(C(C)C(=O)N1CCN(CCO)CC1)C2
InChIInChI=1S/C27H43N3O4/c1-20-18-26(34-17-13-29-11-15-33-16-12-29)22(3)25-19-23(4-5-24(20)25)21(2)27(32)30-8-6-28(7-9-30)10-14-31/h18,21,23,31H,4-17,19H2,1-3H3
InChIKeyRJEBGIJJOBGNGG-UHFFFAOYSA-N
MW473.66 g/mol
LogP1.89
Rot. Bonds8

About 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

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 (PubChem CID 3725859) has the molecular formula C27H43N3O4 and a molecular weight of 473.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID3725859
Molecular FormulaC27H43N3O4
Molecular Weight473.66 g/mol
Exact Mass473.33
IUPAC Name2-[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
SMILESCc1cc(OCCN2CCOCC2)c(C)c2c1CCC(C(C)C(=O)N1CCN(CCO)CC1)C2
InChIInChI=1S/C27H43N3O4/c1-20-18-26(34-17-13-29-11-15-33-16-12-29)22(3)25-19-23(4-5-24(20)25)21(2)27(32)30-8-6-28(7-9-30)10-14-31/h18,21,23,31H,4-17,19H2,1-3H3
InChIKeyRJEBGIJJOBGNGG-UHFFFAOYSA-N
XLogP1.89
TPSA65.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.66
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

2-[5,8-dimethyl-7-(2-morpholin-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-morpholin-4-ylpropan-1-one
CID 78450062
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
2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 134787155
(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-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
(2S)-2-[(2R)-7-(2-methoxyethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 7135446
2-[7-(2-methoxyethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 3743524
(2S)-2-[(2R)-5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 23651410
2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one
CID 118041363

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-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(OCCN2CCOCC2)c(C)c2c1CCC(C(C)C(=O)N1CCN(CCO)CC1)C2.
What is the InChIKey of 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?
The InChIKey is RJEBGIJJOBGNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43N3O4/c1-20-18-26(34-17-13-29-11-15-33-16-12-29)22(3)25-19-23(4-5-24(20)25)21(2)27(32)30-8-6-28(7-9-30)10-14-31/h18,21,23,31H,4-17,19H2,1-3H3.
What are the key properties of 2-[5,8-dimethyl-7-(2-morpholin-4-ylethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one?
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 has a molecular weight of 473.66 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 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-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 3725859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).