4-methyl-9-[[4-(3-methylphenyl)phenyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol

C24H31NO2 — CID 135091088

IUPAC4-methyl-9-[[4-(3-methylphenyl)phenyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol
SMILESCc1cccc(-c2ccc(CN3CCC4(CC3)CC(C)(O)CCO4)cc2)c1
InChIInChI=1S/C24H31NO2/c1-19-4-3-5-22(16-19)21-8-6-20(7-9-21)17-25-13-10-24(11-14-25)18-23(2,26)12-15-27-24/h3-9,16,26H,10-15,17-18H2,1-2H3
InChIKeyQKLMSMVVUPXSHM-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.56
Rot. Bonds3

About 4-methyl-9-[[4-(3-methylphenyl)phenyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol

4-methyl-9-[[4-(3-methylphenyl)phenyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol (PubChem CID 135091088) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 4-methyl-9-[[4-(3-methylphenyl)phenyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol.

Molecular Properties

Compound Name4-methyl-9-[[4-(3-methylphenyl)phenyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol
PubChem CID135091088
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Name4-methyl-9-[[4-(3-methylphenyl)phenyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol
SMILESCc1cccc(-c2ccc(CN3CCC4(CC3)CC(C)(O)CCO4)cc2)c1
InChIInChI=1S/C24H31NO2/c1-19-4-3-5-22(16-19)21-8-6-20(7-9-21)17-25-13-10-24(11-14-25)18-23(2,26)12-15-27-24/h3-9,16,26H,10-15,17-18H2,1-2H3
InChIKeyQKLMSMVVUPXSHM-UHFFFAOYSA-N
XLogP4.56
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-9-[[4-(3-methylphenyl)phenyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-benzyl-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol;formic acid
CID 154916082
1-methyl-4-[[4-(3-methylphenyl)phenyl]methyl]piperazine
CID 70325548
formic acid;4-methyl-9-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 171316787
8-[[5-(3-methylphenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 42851797
9-[(4-fluoro-2-methoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 135091697
9-[(3,5-dichloro-2-methoxyphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 135090543
1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-naphthalen-2-ylethanone
CID 135096486
1-[[3-(3-methylphenyl)phenyl]methyl]piperazine
CID 82092036
(4R,5R)-4-methoxy-7-[[4-(3-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decane
CID 166619064
9-[[2-(difluoromethoxy)phenyl]methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-ol;formic acid
CID 154916360
3-(3-methylphenyl)-8-[(4-methylphenyl)methyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 20962387
1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122046108

Frequently Asked Questions

What is the IUPAC name of 4-methyl-9-[[4-(3-methylphenyl)phenyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The IUPAC name of 4-methyl-9-[[4-(3-methylphenyl)phenyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol (CID 135091088) is 4-methyl-9-[[4-(3-methylphenyl)phenyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol.
What is the SMILES notation for 4-methyl-9-[[4-(3-methylphenyl)phenyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The canonical SMILES for 4-methyl-9-[[4-(3-methylphenyl)phenyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol is Cc1cccc(-c2ccc(CN3CCC4(CC3)CC(C)(O)CCO4)cc2)c1.
What is the InChIKey of 4-methyl-9-[[4-(3-methylphenyl)phenyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The InChIKey is QKLMSMVVUPXSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2/c1-19-4-3-5-22(16-19)21-8-6-20(7-9-21)17-25-13-10-24(11-14-25)18-23(2,26)12-15-27-24/h3-9,16,26H,10-15,17-18H2,1-2H3.
What are the key properties of 4-methyl-9-[[4-(3-methylphenyl)phenyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol?
4-methyl-9-[[4-(3-methylphenyl)phenyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol has a molecular weight of 365.52 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-9-[[4-(3-methylphenyl)phenyl]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol is sourced from PubChem (CID 135091088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).