[(3R)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-[3-(dimethylamino)phenyl]methanone

C25H33N3O2 — CID 97487821

IUPAC[(3R)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-[3-(dimethylamino)phenyl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCC3(CC2)C[C@@H](N(C)Cc2ccccc2)CO3)c1
InChIInChI=1S/C25H33N3O2/c1-26(2)22-11-7-10-21(16-22)24(29)28-14-12-25(13-15-28)17-23(19-30-25)27(3)18-20-8-5-4-6-9-20/h4-11,16,23H,12-15,17-19H2,1-3H3/t23-/m1/s1
InChIKeyYFDXUBDBONWDTJ-HSZRJFAPSA-N
MW407.56 g/mol
LogP3.65
Rot. Bonds5

About [(3R)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-[3-(dimethylamino)phenyl]methanone

[(3R)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-[3-(dimethylamino)phenyl]methanone (PubChem CID 97487821) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is [(3R)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-[3-(dimethylamino)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-[3-(dimethylamino)phenyl]methanone
PubChem CID97487821
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name[(3R)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-[3-(dimethylamino)phenyl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCC3(CC2)C[C@@H](N(C)Cc2ccccc2)CO3)c1
InChIInChI=1S/C25H33N3O2/c1-26(2)22-11-7-10-21(16-22)24(29)28-14-12-25(13-15-28)17-23(19-30-25)27(3)18-20-8-5-4-6-9-20/h4-11,16,23H,12-15,17-19H2,1-3H3/t23-/m1/s1
InChIKeyYFDXUBDBONWDTJ-HSZRJFAPSA-N
XLogP3.65
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3R)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-[3-(dimethylamino)phenyl]methanone with MolForge

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Related Compounds

[(3R)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-cyclobutylmethanone
CID 97487855
1-[(3S)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone
CID 97487838
1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 110131133
[(4S)-4-[benzyl(methyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-2-ylmethanone
CID 164638881
[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
CID 131662070
furan-2-yl-[(3R)-3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97385590
2-(dimethylamino)-1-[3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 110131158
(3R)-8-[3-(dimethylamino)benzoyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95728540
furan-2-yl-[3-[furan-2-ylmethyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
CID 155833282
(3S)-N-benzyl-8-[(5-ethylfuran-2-yl)methyl]-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97487801
azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554
[(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 125006667

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-[3-(dimethylamino)phenyl]methanone?
The IUPAC name of [(3R)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-[3-(dimethylamino)phenyl]methanone (CID 97487821) is [(3R)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-[3-(dimethylamino)phenyl]methanone.
What is the SMILES notation for [(3R)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-[3-(dimethylamino)phenyl]methanone?
The canonical SMILES for [(3R)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-[3-(dimethylamino)phenyl]methanone is CN(C)c1cccc(C(=O)N2CCC3(CC2)C[C@@H](N(C)Cc2ccccc2)CO3)c1.
What is the InChIKey of [(3R)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-[3-(dimethylamino)phenyl]methanone?
The InChIKey is YFDXUBDBONWDTJ-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-26(2)22-11-7-10-21(16-22)24(29)28-14-12-25(13-15-28)17-23(19-30-25)27(3)18-20-8-5-4-6-9-20/h4-11,16,23H,12-15,17-19H2,1-3H3/t23-/m1/s1.
What are the key properties of [(3R)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-[3-(dimethylamino)phenyl]methanone?
[(3R)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-[3-(dimethylamino)phenyl]methanone has a molecular weight of 407.56 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-[3-(dimethylamino)phenyl]methanone is sourced from PubChem (CID 97487821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).