3,5-dimethoxy-4-methyl-N-[7-[1-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-7-azaspiro[3.5]nonan-3-yl]benzamide

C29H33F3N2O4 — CID 171681900

IUPAC3,5-dimethoxy-4-methyl-N-[7-[1-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-7-azaspiro[3.5]nonan-3-yl]benzamide
SMILESCOc1cc(C(=O)NC2CCC23CCN(C(=O)C2(c4ccc(C(F)(F)F)cc4)CC2)CC3)cc(OC)c1C
InChIInChI=1S/C29H33F3N2O4/c1-18-22(37-2)16-19(17-23(18)38-3)25(35)33-24-8-9-27(24)12-14-34(15-13-27)26(36)28(10-11-28)20-4-6-21(7-5-20)29(30,31)32/h4-7,16-17,24H,8-15H2,1-3H3,(H,33,35)
InChIKeyYQOGNJAMEPUSNR-UHFFFAOYSA-N
MW530.59 g/mol
LogP5.26
Rot. Bonds6

About 3,5-dimethoxy-4-methyl-N-[7-[1-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-7-azaspiro[3.5]nonan-3-yl]benzamide

3,5-dimethoxy-4-methyl-N-[7-[1-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-7-azaspiro[3.5]nonan-3-yl]benzamide (PubChem CID 171681900) has the molecular formula C29H33F3N2O4 and a molecular weight of 530.59 g/mol. Its IUPAC name is 3,5-dimethoxy-4-methyl-N-[7-[1-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-7-azaspiro[3.5]nonan-3-yl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-4-methyl-N-[7-[1-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-7-azaspiro[3.5]nonan-3-yl]benzamide
PubChem CID171681900
Molecular FormulaC29H33F3N2O4
Molecular Weight530.59 g/mol
Exact Mass530.24
IUPAC Name3,5-dimethoxy-4-methyl-N-[7-[1-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-7-azaspiro[3.5]nonan-3-yl]benzamide
SMILESCOc1cc(C(=O)NC2CCC23CCN(C(=O)C2(c4ccc(C(F)(F)F)cc4)CC2)CC3)cc(OC)c1C
InChIInChI=1S/C29H33F3N2O4/c1-18-22(37-2)16-19(17-23(18)38-3)25(35)33-24-8-9-27(24)12-14-34(15-13-27)26(36)28(10-11-28)20-4-6-21(7-5-20)29(30,31)32/h4-7,16-17,24H,8-15H2,1-3H3,(H,33,35)
InChIKeyYQOGNJAMEPUSNR-UHFFFAOYSA-N
XLogP5.26
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.59
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4,5-dimethoxy-2-methylbenzoyl)-2-azaspiro[3.5]nonan-7-yl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 171685284
3-fluoro-4-methoxy-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide
CID 122276396
1-methyl-N-[7-(pyridine-4-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 118744218
3,5-dimethoxy-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119429058
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558608
2-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide
CID 108549263
(3,5-dimethoxy-4-methylphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 33232919
N-(1,1-dioxothiolan-3-yl)-3,5-dimethoxy-4-methylbenzamide
CID 46560159
3,4-dimethyl-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide
CID 122276326
3,4,5-trimethoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108549268
[4-(4-chlorophenyl)oxan-4-yl]-[3-[[4-(trifluoromethyl)phenoxy]methyl]piperidin-1-yl]methanone;ethane
CID 143089641
3,5-dimethoxy-4-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 170440976

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-4-methyl-N-[7-[1-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-7-azaspiro[3.5]nonan-3-yl]benzamide?
The IUPAC name of 3,5-dimethoxy-4-methyl-N-[7-[1-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-7-azaspiro[3.5]nonan-3-yl]benzamide (CID 171681900) is 3,5-dimethoxy-4-methyl-N-[7-[1-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-7-azaspiro[3.5]nonan-3-yl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-4-methyl-N-[7-[1-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-7-azaspiro[3.5]nonan-3-yl]benzamide?
The canonical SMILES for 3,5-dimethoxy-4-methyl-N-[7-[1-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-7-azaspiro[3.5]nonan-3-yl]benzamide is COc1cc(C(=O)NC2CCC23CCN(C(=O)C2(c4ccc(C(F)(F)F)cc4)CC2)CC3)cc(OC)c1C.
What is the InChIKey of 3,5-dimethoxy-4-methyl-N-[7-[1-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-7-azaspiro[3.5]nonan-3-yl]benzamide?
The InChIKey is YQOGNJAMEPUSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33F3N2O4/c1-18-22(37-2)16-19(17-23(18)38-3)25(35)33-24-8-9-27(24)12-14-34(15-13-27)26(36)28(10-11-28)20-4-6-21(7-5-20)29(30,31)32/h4-7,16-17,24H,8-15H2,1-3H3,(H,33,35).
What are the key properties of 3,5-dimethoxy-4-methyl-N-[7-[1-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-7-azaspiro[3.5]nonan-3-yl]benzamide?
3,5-dimethoxy-4-methyl-N-[7-[1-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-7-azaspiro[3.5]nonan-3-yl]benzamide has a molecular weight of 530.59 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-4-methyl-N-[7-[1-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]-7-azaspiro[3.5]nonan-3-yl]benzamide is sourced from PubChem (CID 171681900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).