7-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]amino]-3,4-dihydro-2H-naphthalen-1-one

C18H24N2O3 — CID 96529381

IUPAC7-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]amino]-3,4-dihydro-2H-naphthalen-1-one
SMILESC[C@@H]1CN(C(=O)CNc2ccc3c(c2)C(=O)CCC3)C[C@@H](C)O1
InChIInChI=1S/C18H24N2O3/c1-12-10-20(11-13(2)23-12)18(22)9-19-15-7-6-14-4-3-5-17(21)16(14)8-15/h6-8,12-13,19H,3-5,9-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyVEGZJJGQHBDULB-CHWSQXEVSA-N
MW316.40 g/mol
LogP2.25
Rot. Bonds3

About 7-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]amino]-3,4-dihydro-2H-naphthalen-1-one

7-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]amino]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 96529381) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 7-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]amino]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name7-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]amino]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID96529381
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name7-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]amino]-3,4-dihydro-2H-naphthalen-1-one
SMILESC[C@@H]1CN(C(=O)CNc2ccc3c(c2)C(=O)CCC3)C[C@@H](C)O1
InChIInChI=1S/C18H24N2O3/c1-12-10-20(11-13(2)23-12)18(22)9-19-15-7-6-14-4-3-5-17(21)16(14)8-15/h6-8,12-13,19H,3-5,9-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyVEGZJJGQHBDULB-CHWSQXEVSA-N
XLogP2.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]amino]-3,4-dihydro-2H-naphthalen-1-one with MolForge

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Related Compounds

2-chloro-5-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]amino]benzonitrile
CID 124571083
1-(azocan-1-yl)-2-[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]anilino]ethanone
CID 94631749
2-(2,3-dihydro-1H-inden-5-ylamino)-1-pyrrolidin-1-ylethanone
CID 28578084
2-(methylamino)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide
CID 119781803
4-(hydroxymethyl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)piperidine-1-carboxamide
CID 111840825
2-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride
CID 119322556
3-[5-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156502771
2-(2-methoxyethylamino)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride
CID 119781826
(2S)-2-amino-4-methylsulfanyl-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)butanamide
CID 119322563
2-(2,3-dihydro-1H-inden-5-yl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102934648
N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)methanesulfonamide
CID 14985976
2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 39998898

Frequently Asked Questions

What is the IUPAC name of 7-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]amino]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 7-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]amino]-3,4-dihydro-2H-naphthalen-1-one (CID 96529381) is 7-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]amino]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 7-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]amino]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 7-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]amino]-3,4-dihydro-2H-naphthalen-1-one is C[C@@H]1CN(C(=O)CNc2ccc3c(c2)C(=O)CCC3)C[C@@H](C)O1.
What is the InChIKey of 7-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]amino]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is VEGZJJGQHBDULB-CHWSQXEVSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-12-10-20(11-13(2)23-12)18(22)9-19-15-7-6-14-4-3-5-17(21)16(14)8-15/h6-8,12-13,19H,3-5,9-11H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of 7-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]amino]-3,4-dihydro-2H-naphthalen-1-one?
7-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]amino]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 316.40 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]amino]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 96529381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).