4-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-methoxybutanamide;hydrochloride

C16H23ClF2N2O3 — CID 120590890

IUPAC4-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-methoxybutanamide;hydrochloride
SMILESCOC(CN)CC(=O)NC1CCCc2cc(OC(F)F)ccc21.Cl
InChIInChI=1S/C16H22F2N2O3.ClH/c1-22-12(9-19)8-15(21)20-14-4-2-3-10-7-11(23-16(17)18)5-6-13(10)14;/h5-7,12,14,16H,2-4,8-9,19H2,1H3,(H,20,21);1H
InChIKeyISPOMBLEKCTVOF-UHFFFAOYSA-N
MW364.82 g/mol
LogP2.57
Rot. Bonds7

About 4-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-methoxybutanamide;hydrochloride

4-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-methoxybutanamide;hydrochloride (PubChem CID 120590890) has the molecular formula C16H23ClF2N2O3 and a molecular weight of 364.82 g/mol. Its IUPAC name is 4-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-methoxybutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-methoxybutanamide;hydrochloride
PubChem CID120590890
Molecular FormulaC16H23ClF2N2O3
Molecular Weight364.82 g/mol
Exact Mass364.14
IUPAC Name4-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-methoxybutanamide;hydrochloride
SMILESCOC(CN)CC(=O)NC1CCCc2cc(OC(F)F)ccc21.Cl
InChIInChI=1S/C16H22F2N2O3.ClH/c1-22-12(9-19)8-15(21)20-14-4-2-3-10-7-11(23-16(17)18)5-6-13(10)14;/h5-7,12,14,16H,2-4,8-9,19H2,1H3,(H,20,21);1H
InChIKeyISPOMBLEKCTVOF-UHFFFAOYSA-N
XLogP2.57
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.82
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide;hydrochloride
CID 120586516
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
CID 60605486
4-(aminomethyl)-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide;hydrochloride
CID 119310224
2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide;hydrochloride
CID 119310232
1-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119310236
N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-methylpyrazol-1-yl)acetamide
CID 95346227
3-[[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]-N-propylpropanamide
CID 86870829
1-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111454981
2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(4-methylphenyl)acetamide
CID 120668049
N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetamide
CID 95346191
N-[(1S)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methanesulfonamide
CID 94826773
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 119310217

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-methoxybutanamide;hydrochloride?
The IUPAC name of 4-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-methoxybutanamide;hydrochloride (CID 120590890) is 4-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-methoxybutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-methoxybutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-methoxybutanamide;hydrochloride is COC(CN)CC(=O)NC1CCCc2cc(OC(F)F)ccc21.Cl.
What is the InChIKey of 4-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-methoxybutanamide;hydrochloride?
The InChIKey is ISPOMBLEKCTVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O3.ClH/c1-22-12(9-19)8-15(21)20-14-4-2-3-10-7-11(23-16(17)18)5-6-13(10)14;/h5-7,12,14,16H,2-4,8-9,19H2,1H3,(H,20,21);1H.
What are the key properties of 4-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-methoxybutanamide;hydrochloride?
4-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-methoxybutanamide;hydrochloride has a molecular weight of 364.82 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-methoxybutanamide;hydrochloride is sourced from PubChem (CID 120590890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).