1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(3-methylphenyl)methoxy]phenyl]methanone

C22H25NO4 — CID 43057730

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(3-methylphenyl)methoxy]phenyl]methanone
SMILESCc1cccc(COc2ccccc2C(=O)N2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C22H25NO4/c1-17-5-4-6-18(15-17)16-25-20-8-3-2-7-19(20)21(24)23-11-9-22(10-12-23)26-13-14-27-22/h2-8,15H,9-14,16H2,1H3
InChIKeyJBKNCMPBGYLUTB-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.55
Rot. Bonds4

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(3-methylphenyl)methoxy]phenyl]methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(3-methylphenyl)methoxy]phenyl]methanone (PubChem CID 43057730) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(3-methylphenyl)methoxy]phenyl]methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(3-methylphenyl)methoxy]phenyl]methanone
PubChem CID43057730
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(3-methylphenyl)methoxy]phenyl]methanone
SMILESCc1cccc(COc2ccccc2C(=O)N2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C22H25NO4/c1-17-5-4-6-18(15-17)16-25-20-8-3-2-7-19(20)21(24)23-11-9-22(10-12-23)26-13-14-27-22/h2-8,15H,9-14,16H2,1H3
InChIKeyJBKNCMPBGYLUTB-UHFFFAOYSA-N
XLogP3.55
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(3-methylphenyl)methoxy]phenyl]methanone 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

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-ethoxyphenyl)methanone
CID 17250136
[1-[2-[(3-methylphenyl)methoxy]benzoyl]piperidin-4-yl]-phenylmethanone
CID 24686333
ethyl 4-[2-[(3-bromophenyl)methoxy]benzoyl]piperazine-1-carboxylate
CID 30687965
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-fluoro-3-methylphenyl)methanone
CID 80718430
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109085777
[2-[(3-bromophenyl)methoxy]phenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 38909487
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-N-[(3-methylphenyl)methyl]-3-oxopropanamide
CID 108961838
3-[(3-methylphenyl)methoxy]phthalic acid
CID 66906397
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methylphenyl)prop-2-en-1-one
CID 71898426
2-[(3-methylphenyl)methoxy]-N-propan-2-ylbenzamide
CID 18160109
1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-[(3-methylphenyl)methyl]piperazine-2,3-dione
CID 53063986
2-[(3-methylphenyl)methoxy]-N-phenylbenzamide
CID 18280998

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(3-methylphenyl)methoxy]phenyl]methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(3-methylphenyl)methoxy]phenyl]methanone (CID 43057730) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(3-methylphenyl)methoxy]phenyl]methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(3-methylphenyl)methoxy]phenyl]methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(3-methylphenyl)methoxy]phenyl]methanone is Cc1cccc(COc2ccccc2C(=O)N2CCC3(CC2)OCCO3)c1.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(3-methylphenyl)methoxy]phenyl]methanone?
The InChIKey is JBKNCMPBGYLUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-17-5-4-6-18(15-17)16-25-20-8-3-2-7-19(20)21(24)23-11-9-22(10-12-23)26-13-14-27-22/h2-8,15H,9-14,16H2,1H3.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(3-methylphenyl)methoxy]phenyl]methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(3-methylphenyl)methoxy]phenyl]methanone has a molecular weight of 367.45 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(3-methylphenyl)methoxy]phenyl]methanone is sourced from PubChem (CID 43057730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).