2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-morpholin-4-ylethanone

C17H24N2O3 — CID 84596415

IUPAC2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-morpholin-4-ylethanone
SMILESCOc1ccc2c(c1)CC(NCC(=O)N1CCOCC1)CC2
InChIInChI=1S/C17H24N2O3/c1-21-16-5-3-13-2-4-15(10-14(13)11-16)18-12-17(20)19-6-8-22-9-7-19/h3,5,11,15,18H,2,4,6-10,12H2,1H3
InChIKeyWTRHOBGCCXBVTC-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.00
Rot. Bonds4

About 2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-morpholin-4-ylethanone

2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-morpholin-4-ylethanone (PubChem CID 84596415) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-morpholin-4-ylethanone
PubChem CID84596415
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-morpholin-4-ylethanone
SMILESCOc1ccc2c(c1)CC(NCC(=O)N1CCOCC1)CC2
InChIInChI=1S/C17H24N2O3/c1-21-16-5-3-13-2-4-15(10-14(13)11-16)18-12-17(20)19-6-8-22-9-7-19/h3,5,11,15,18H,2,4,6-10,12H2,1H3
InChIKeyWTRHOBGCCXBVTC-UHFFFAOYSA-N
XLogP1.00
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-morpholin-4-ylethanone (CID 84596415) is 2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-morpholin-4-ylethanone is COc1ccc2c(c1)CC(NCC(=O)N1CCOCC1)CC2.
What is the InChIKey of 2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-morpholin-4-ylethanone?
The InChIKey is WTRHOBGCCXBVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-21-16-5-3-13-2-4-15(10-14(13)11-16)18-12-17(20)19-6-8-22-9-7-19/h3,5,11,15,18H,2,4,6-10,12H2,1H3.
What are the key properties of 2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-morpholin-4-ylethanone?
2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-morpholin-4-ylethanone has a molecular weight of 304.39 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 84596415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).