N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4-methylmorpholine-2-carboxamide

C17H24N2O3 — CID 111540494

IUPACN-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4-methylmorpholine-2-carboxamide
SMILESCN1CCOC(C(=O)NCC2(O)CCCc3ccccc32)C1
InChIInChI=1S/C17H24N2O3/c1-19-9-10-22-15(11-19)16(20)18-12-17(21)8-4-6-13-5-2-3-7-14(13)17/h2-3,5,7,15,21H,4,6,8-12H2,1H3,(H,18,20)
InChIKeyZGIRWINQGAAJQG-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.66
Rot. Bonds3

About N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4-methylmorpholine-2-carboxamide

N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4-methylmorpholine-2-carboxamide (PubChem CID 111540494) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4-methylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4-methylmorpholine-2-carboxamide
PubChem CID111540494
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4-methylmorpholine-2-carboxamide
SMILESCN1CCOC(C(=O)NCC2(O)CCCc3ccccc32)C1
InChIInChI=1S/C17H24N2O3/c1-19-9-10-22-15(11-19)16(20)18-12-17(21)8-4-6-13-5-2-3-7-14(13)17/h2-3,5,7,15,21H,4,6,8-12H2,1H3,(H,18,20)
InChIKeyZGIRWINQGAAJQG-UHFFFAOYSA-N
XLogP0.66
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1-propylpyrrolidine-2-carboxamide
CID 111485949
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide
CID 111540492
(1S)-2,2-dichloro-N-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]cyclopropane-1-carboxamide
CID 95986974
4-methyl-N-phenylmorpholine-2-carboxamide
CID 20524995
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-(oxolan-2-yl)propanamide
CID 111110506
1-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 111110415
2,2-dichloro-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-1-methylcyclopropane-1-carboxamide
CID 111110680
1-[4-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]piperidin-1-yl]ethanone
CID 111110346
N-(3-hydroxy-3-phenylpropyl)-4-methylmorpholine-2-carboxamide
CID 111719911
(2R)-N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 95177177
(2S)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methylmorpholine-2-carboxamide
CID 97100984
(2R)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methylmorpholine-2-carboxamide
CID 97100985

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4-methylmorpholine-2-carboxamide?
The IUPAC name of N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4-methylmorpholine-2-carboxamide (CID 111540494) is N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4-methylmorpholine-2-carboxamide.
What is the SMILES notation for N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4-methylmorpholine-2-carboxamide?
The canonical SMILES for N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4-methylmorpholine-2-carboxamide is CN1CCOC(C(=O)NCC2(O)CCCc3ccccc32)C1.
What is the InChIKey of N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4-methylmorpholine-2-carboxamide?
The InChIKey is ZGIRWINQGAAJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-19-9-10-22-15(11-19)16(20)18-12-17(21)8-4-6-13-5-2-3-7-14(13)17/h2-3,5,7,15,21H,4,6,8-12H2,1H3,(H,18,20).
What are the key properties of N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4-methylmorpholine-2-carboxamide?
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4-methylmorpholine-2-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-4-methylmorpholine-2-carboxamide is sourced from PubChem (CID 111540494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).