2,3-dimethoxy-N-(6-phenyl-6-azaspiro[2.5]octan-2-yl)benzamide

C22H26N2O3 — CID 67129577

IUPAC2,3-dimethoxy-N-(6-phenyl-6-azaspiro[2.5]octan-2-yl)benzamide
SMILESCOc1cccc(C(=O)NC2CC23CCN(c2ccccc2)CC3)c1OC
InChIInChI=1S/C22H26N2O3/c1-26-18-10-6-9-17(20(18)27-2)21(25)23-19-15-22(19)11-13-24(14-12-22)16-7-4-3-5-8-16/h3-10,19H,11-15H2,1-2H3,(H,23,25)
InChIKeyBQFUUMJMXYFZCI-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.49
Rot. Bonds5

About 2,3-dimethoxy-N-(6-phenyl-6-azaspiro[2.5]octan-2-yl)benzamide

2,3-dimethoxy-N-(6-phenyl-6-azaspiro[2.5]octan-2-yl)benzamide (PubChem CID 67129577) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2,3-dimethoxy-N-(6-phenyl-6-azaspiro[2.5]octan-2-yl)benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-(6-phenyl-6-azaspiro[2.5]octan-2-yl)benzamide
PubChem CID67129577
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2,3-dimethoxy-N-(6-phenyl-6-azaspiro[2.5]octan-2-yl)benzamide
SMILESCOc1cccc(C(=O)NC2CC23CCN(c2ccccc2)CC3)c1OC
InChIInChI=1S/C22H26N2O3/c1-26-18-10-6-9-17(20(18)27-2)21(25)23-19-15-22(19)11-13-24(14-12-22)16-7-4-3-5-8-16/h3-10,19H,11-15H2,1-2H3,(H,23,25)
InChIKeyBQFUUMJMXYFZCI-UHFFFAOYSA-N
XLogP3.49
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-3,4-dimethoxy-N-[6-[2-(4-methylphenyl)benzoyl]-6-azaspiro[2.5]octan-2-yl]benzamide
CID 171685247
2,3-dimethoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269457
2,3-dimethoxy-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 13053662
2,3-dimethoxy-N-[4-(methylamino)cyclohexyl]benzamide
CID 43653208
2,3-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236643
2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854
N-[6-[4-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-6-azaspiro[2.5]octan-2-yl]naphthalene-1-carboxamide
CID 123572386
(4-phenylpiperazin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 7892809
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-2,3-dimethoxybenzamide
CID 16889313
2,3-dimethoxy-N-sulfanylbenzamide
CID 71771535
2,3-dimethoxy-N-[6-(2-oxo-3-phenylimidazolidin-1-yl)-3-pyridinyl]benzamide
CID 53187496
2,3-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 71810013

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-(6-phenyl-6-azaspiro[2.5]octan-2-yl)benzamide?
The IUPAC name of 2,3-dimethoxy-N-(6-phenyl-6-azaspiro[2.5]octan-2-yl)benzamide (CID 67129577) is 2,3-dimethoxy-N-(6-phenyl-6-azaspiro[2.5]octan-2-yl)benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-(6-phenyl-6-azaspiro[2.5]octan-2-yl)benzamide?
The canonical SMILES for 2,3-dimethoxy-N-(6-phenyl-6-azaspiro[2.5]octan-2-yl)benzamide is COc1cccc(C(=O)NC2CC23CCN(c2ccccc2)CC3)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-(6-phenyl-6-azaspiro[2.5]octan-2-yl)benzamide?
The InChIKey is BQFUUMJMXYFZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-26-18-10-6-9-17(20(18)27-2)21(25)23-19-15-22(19)11-13-24(14-12-22)16-7-4-3-5-8-16/h3-10,19H,11-15H2,1-2H3,(H,23,25).
What are the key properties of 2,3-dimethoxy-N-(6-phenyl-6-azaspiro[2.5]octan-2-yl)benzamide?
2,3-dimethoxy-N-(6-phenyl-6-azaspiro[2.5]octan-2-yl)benzamide has a molecular weight of 366.46 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-(6-phenyl-6-azaspiro[2.5]octan-2-yl)benzamide is sourced from PubChem (CID 67129577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).