2-(difluoromethoxy)-N-[[6-[2-[(1-methylimidazol-2-yl)methoxy]acetyl]-6-azaspiro[3.4]octan-7-yl]methyl]acetamide

C18H26F2N4O4 — CID 167833764

IUPAC2-(difluoromethoxy)-N-[[6-[2-[(1-methylimidazol-2-yl)methoxy]acetyl]-6-azaspiro[3.4]octan-7-yl]methyl]acetamide
SMILESCn1ccnc1COCC(=O)N1CC2(CCC2)CC1CNC(=O)COC(F)F
InChIInChI=1S/C18H26F2N4O4/c1-23-6-5-21-14(23)9-27-11-16(26)24-12-18(3-2-4-18)7-13(24)8-22-15(25)10-28-17(19)20/h5-6,13,17H,2-4,7-12H2,1H3,(H,22,25)
InChIKeyCVVHKLVHOQWWOR-UHFFFAOYSA-N
MW400.43 g/mol
LogP1.06
Rot. Bonds9

About 2-(difluoromethoxy)-N-[[6-[2-[(1-methylimidazol-2-yl)methoxy]acetyl]-6-azaspiro[3.4]octan-7-yl]methyl]acetamide

2-(difluoromethoxy)-N-[[6-[2-[(1-methylimidazol-2-yl)methoxy]acetyl]-6-azaspiro[3.4]octan-7-yl]methyl]acetamide (PubChem CID 167833764) has the molecular formula C18H26F2N4O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[[6-[2-[(1-methylimidazol-2-yl)methoxy]acetyl]-6-azaspiro[3.4]octan-7-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[[6-[2-[(1-methylimidazol-2-yl)methoxy]acetyl]-6-azaspiro[3.4]octan-7-yl]methyl]acetamide
PubChem CID167833764
Molecular FormulaC18H26F2N4O4
Molecular Weight400.43 g/mol
Exact Mass400.19
IUPAC Name2-(difluoromethoxy)-N-[[6-[2-[(1-methylimidazol-2-yl)methoxy]acetyl]-6-azaspiro[3.4]octan-7-yl]methyl]acetamide
SMILESCn1ccnc1COCC(=O)N1CC2(CCC2)CC1CNC(=O)COC(F)F
InChIInChI=1S/C18H26F2N4O4/c1-23-6-5-21-14(23)9-27-11-16(26)24-12-18(3-2-4-18)7-13(24)8-22-15(25)10-28-17(19)20/h5-6,13,17H,2-4,7-12H2,1H3,(H,22,25)
InChIKeyCVVHKLVHOQWWOR-UHFFFAOYSA-N
XLogP1.06
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[[(3R,4S)-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]amino]-2-oxoethoxy]acetamide
CID 72855409
N-[(3R*,4S*)-4-cyclopropyl-1-(methoxyacetyl)pyrrolidin-3-yl]-3-(2-ethyl-1H-imidazol-1-yl)propanamide
CID 72842071
1-[7-(3,3-Difluoro-1-methylcyclobutanecarbonyl)-2,7-diazaspiro[3.4]octan-2-yl]-2-[(1-methylimidazol-2-yl)methoxy]ethanone
CID 154773308
N-[(3S,4R)-1-(3,3-difluoro-2,2-dimethylbutanoyl)-4-(1-methylimidazol-2-yl)pyrrolidin-3-yl]-2-methoxyacetamide
CID 154787302
N-(2-amino-1-cyclopentylethyl)-2-[(1-methylimidazol-2-yl)methoxy]acetamide;2,2,2-trifluoroacetic acid
CID 167787338
N-[(1R,3R)-3-ethoxy-7-oxaspiro[3.5]nonan-1-yl]-2-[(1-methylimidazol-2-yl)methoxy]acetamide
CID 132311488
N-(2,4-dimethylpiperidin-3-yl)-2-[(1-methylimidazol-2-yl)methoxy]acetamide
CID 132314443
N-(2-amino-1-cyclopentylethyl)-2-[(1-methylimidazol-2-yl)methoxy]acetamide
CID 132314444
N-[(3S,4R)-4-cyclopropyl-1-(2-methoxyacetyl)pyrrolidin-3-yl]-3-(2-ethylimidazol-1-yl)propanamide
CID 133131644
2-(2-amino-2-oxoethoxy)-N-{(3R*,4S*)-4-isopropyl-1-[(1-methyl-1H-imidazol-2-yl)methyl]-3-pyrrolidinyl}acetamide
CID 133135088
1-(8-Amino-6-azaspiro[3.4]octan-6-yl)-2-[(1-methylimidazol-2-yl)methoxy]ethanone
CID 137936282
N-(5-azaspiro[3.4]octan-8-yl)-2-[(1-methylimidazol-2-yl)methoxy]acetamide
CID 138010874

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[[6-[2-[(1-methylimidazol-2-yl)methoxy]acetyl]-6-azaspiro[3.4]octan-7-yl]methyl]acetamide?
The IUPAC name of 2-(difluoromethoxy)-N-[[6-[2-[(1-methylimidazol-2-yl)methoxy]acetyl]-6-azaspiro[3.4]octan-7-yl]methyl]acetamide (CID 167833764) is 2-(difluoromethoxy)-N-[[6-[2-[(1-methylimidazol-2-yl)methoxy]acetyl]-6-azaspiro[3.4]octan-7-yl]methyl]acetamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[[6-[2-[(1-methylimidazol-2-yl)methoxy]acetyl]-6-azaspiro[3.4]octan-7-yl]methyl]acetamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[[6-[2-[(1-methylimidazol-2-yl)methoxy]acetyl]-6-azaspiro[3.4]octan-7-yl]methyl]acetamide is Cn1ccnc1COCC(=O)N1CC2(CCC2)CC1CNC(=O)COC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-[[6-[2-[(1-methylimidazol-2-yl)methoxy]acetyl]-6-azaspiro[3.4]octan-7-yl]methyl]acetamide?
The InChIKey is CVVHKLVHOQWWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N4O4/c1-23-6-5-21-14(23)9-27-11-16(26)24-12-18(3-2-4-18)7-13(24)8-22-15(25)10-28-17(19)20/h5-6,13,17H,2-4,7-12H2,1H3,(H,22,25).
What are the key properties of 2-(difluoromethoxy)-N-[[6-[2-[(1-methylimidazol-2-yl)methoxy]acetyl]-6-azaspiro[3.4]octan-7-yl]methyl]acetamide?
2-(difluoromethoxy)-N-[[6-[2-[(1-methylimidazol-2-yl)methoxy]acetyl]-6-azaspiro[3.4]octan-7-yl]methyl]acetamide has a molecular weight of 400.43 g/mol, XLogP of 1.06, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[[6-[2-[(1-methylimidazol-2-yl)methoxy]acetyl]-6-azaspiro[3.4]octan-7-yl]methyl]acetamide is sourced from PubChem (CID 167833764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).