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

C17H24N2O3 — CID 163907921

IUPAC2-[[(1R,4S)-4-amino-1,2,3,4-tetrahydronaphthalen-1-yl]methoxy]-1-morpholin-4-ylethanone
SMILESN[C@H]1CC[C@@H](COCC(=O)N2CCOCC2)c2ccccc21
InChIInChI=1S/C17H24N2O3/c18-16-6-5-13(14-3-1-2-4-15(14)16)11-22-12-17(20)19-7-9-21-10-8-19/h1-4,13,16H,5-12,18H2/t13-,16-/m0/s1
InChIKeyQPPJPZSSLJNUGU-BBRMVZONSA-N
MW304.39 g/mol
LogP1.44
Rot. Bonds4

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

2-[[(1R,4S)-4-amino-1,2,3,4-tetrahydronaphthalen-1-yl]methoxy]-1-morpholin-4-ylethanone (PubChem CID 163907921) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[[(1R,4S)-4-amino-1,2,3,4-tetrahydronaphthalen-1-yl]methoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[[(1R,4S)-4-amino-1,2,3,4-tetrahydronaphthalen-1-yl]methoxy]-1-morpholin-4-ylethanone
PubChem CID163907921
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-[[(1R,4S)-4-amino-1,2,3,4-tetrahydronaphthalen-1-yl]methoxy]-1-morpholin-4-ylethanone
SMILESN[C@H]1CC[C@@H](COCC(=O)N2CCOCC2)c2ccccc21
InChIInChI=1S/C17H24N2O3/c18-16-6-5-13(14-3-1-2-4-15(14)16)11-22-12-17(20)19-7-9-21-10-8-19/h1-4,13,16H,5-12,18H2/t13-,16-/m0/s1
InChIKeyQPPJPZSSLJNUGU-BBRMVZONSA-N
XLogP1.44
TPSA64.79 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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[(1R,4S)-4-amino-1,2,3,4-tetrahydronaphthalen-1-yl]methoxy]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

2-(2-bromophenoxy)-1-morpholin-4-ylethanone
CID 725441
2-(2-chlorophenoxy)-1-morpholin-4-ylethanone
CID 905479
2-[2-(1,3-dibenzylimidazolidin-2-yl)phenoxy]-1-morpholin-4-ylethanone
CID 4689898
1-morpholin-4-yl-2-naphthalen-1-yloxyethanone
CID 954548
1-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-2-(cyclopropylmethoxy)ethanone
CID 95336958
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]propyl]carbamate
CID 170835367
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]urea
CID 96528076
(2-morpholin-4-yl-2-oxoethyl) 2-fluorobenzoate
CID 4287540
3-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydroinden-1-one
CID 82159881
2-[2-(aminomethyl)phenoxy]-1-(1,4-oxazepan-4-yl)ethanone
CID 55154462
N-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]piperidine-4-carboxamide
CID 119341376
(2-morpholin-4-yl-2-oxoethyl) quinoxaline-2-carboxylate
CID 23773714

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,4S)-4-amino-1,2,3,4-tetrahydronaphthalen-1-yl]methoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[[(1R,4S)-4-amino-1,2,3,4-tetrahydronaphthalen-1-yl]methoxy]-1-morpholin-4-ylethanone (CID 163907921) is 2-[[(1R,4S)-4-amino-1,2,3,4-tetrahydronaphthalen-1-yl]methoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[[(1R,4S)-4-amino-1,2,3,4-tetrahydronaphthalen-1-yl]methoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[[(1R,4S)-4-amino-1,2,3,4-tetrahydronaphthalen-1-yl]methoxy]-1-morpholin-4-ylethanone is N[C@H]1CC[C@@H](COCC(=O)N2CCOCC2)c2ccccc21.
What is the InChIKey of 2-[[(1R,4S)-4-amino-1,2,3,4-tetrahydronaphthalen-1-yl]methoxy]-1-morpholin-4-ylethanone?
The InChIKey is QPPJPZSSLJNUGU-BBRMVZONSA-N. The full InChI is InChI=1S/C17H24N2O3/c18-16-6-5-13(14-3-1-2-4-15(14)16)11-22-12-17(20)19-7-9-21-10-8-19/h1-4,13,16H,5-12,18H2/t13-,16-/m0/s1.
What are the key properties of 2-[[(1R,4S)-4-amino-1,2,3,4-tetrahydronaphthalen-1-yl]methoxy]-1-morpholin-4-ylethanone?
2-[[(1R,4S)-4-amino-1,2,3,4-tetrahydronaphthalen-1-yl]methoxy]-1-morpholin-4-ylethanone has a molecular weight of 304.39 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,4S)-4-amino-1,2,3,4-tetrahydronaphthalen-1-yl]methoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 163907921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).