9-[(2,4-difluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one

C23H26F2N2O3 — CID 134809571

IUPAC9-[(2,4-difluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
SMILESCOc1cccc(CN2CCOC3(CCN(Cc4ccc(F)cc4F)CC3)C2=O)c1
InChIInChI=1S/C23H26F2N2O3/c1-29-20-4-2-3-17(13-20)15-27-11-12-30-23(22(27)28)7-9-26(10-8-23)16-18-5-6-19(24)14-21(18)25/h2-6,13-14H,7-12,15-16H2,1H3
InChIKeyYXIHYCLTTJMEGU-UHFFFAOYSA-N
MW416.47 g/mol
LogP3.37
Rot. Bonds5

About 9-[(2,4-difluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one

9-[(2,4-difluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one (PubChem CID 134809571) has the molecular formula C23H26F2N2O3 and a molecular weight of 416.47 g/mol. Its IUPAC name is 9-[(2,4-difluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name9-[(2,4-difluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
PubChem CID134809571
Molecular FormulaC23H26F2N2O3
Molecular Weight416.47 g/mol
Exact Mass416.19
IUPAC Name9-[(2,4-difluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
SMILESCOc1cccc(CN2CCOC3(CCN(Cc4ccc(F)cc4F)CC3)C2=O)c1
InChIInChI=1S/C23H26F2N2O3/c1-29-20-4-2-3-17(13-20)15-27-11-12-30-23(22(27)28)7-9-26(10-8-23)16-18-5-6-19(24)14-21(18)25/h2-6,13-14H,7-12,15-16H2,1H3
InChIKeyYXIHYCLTTJMEGU-UHFFFAOYSA-N
XLogP3.37
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[(3-methoxyphenyl)methyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
CID 146674196
8-[(2,4-difluorophenyl)methyl]-1-ethyl-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26135256
CID 134806248
CID 134806248
CID 134808610
CID 134808610
2-[(4-fluorophenyl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45223915
7-[(3-methoxyphenyl)methyl]-2-oxa-7-azaspiro[3.5]nonane
CID 97374489
8-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 143341336
1-[(3-methoxyphenyl)methyl]-4-[(2,4,6-trifluorophenyl)methyl]-1,4-diazepan-5-one
CID 24733208
(5S)-2-[(3-methoxyphenyl)methyl]-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373915
(5S)-7-ethylsulfonyl-2-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 97451697
8-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;methoxyethane
CID 143341335
1-(2,4-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 62196543

Frequently Asked Questions

What is the IUPAC name of 9-[(2,4-difluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?
The IUPAC name of 9-[(2,4-difluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one (CID 134809571) is 9-[(2,4-difluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 9-[(2,4-difluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?
The canonical SMILES for 9-[(2,4-difluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one is COc1cccc(CN2CCOC3(CCN(Cc4ccc(F)cc4F)CC3)C2=O)c1.
What is the InChIKey of 9-[(2,4-difluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?
The InChIKey is YXIHYCLTTJMEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N2O3/c1-29-20-4-2-3-17(13-20)15-27-11-12-30-23(22(27)28)7-9-26(10-8-23)16-18-5-6-19(24)14-21(18)25/h2-6,13-14H,7-12,15-16H2,1H3.
What are the key properties of 9-[(2,4-difluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?
9-[(2,4-difluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one has a molecular weight of 416.47 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2,4-difluorophenyl)methyl]-4-[(3-methoxyphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 134809571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).