8-[(3-methoxyphenyl)methyl]-4-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

C19H30N2O3 — CID 155877545

IUPAC8-[(3-methoxyphenyl)methyl]-4-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESCOc1cccc(CN2CCOCC3(C2)CN(C(C)C)CCO3)c1
InChIInChI=1S/C19H30N2O3/c1-16(2)21-8-10-24-19(14-21)13-20(7-9-23-15-19)12-17-5-4-6-18(11-17)22-3/h4-6,11,16H,7-10,12-15H2,1-3H3
InChIKeyIRFBXLZBWGDTHG-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.01
Rot. Bonds4

About 8-[(3-methoxyphenyl)methyl]-4-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

8-[(3-methoxyphenyl)methyl]-4-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (PubChem CID 155877545) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 8-[(3-methoxyphenyl)methyl]-4-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name8-[(3-methoxyphenyl)methyl]-4-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
PubChem CID155877545
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name8-[(3-methoxyphenyl)methyl]-4-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESCOc1cccc(CN2CCOCC3(C2)CN(C(C)C)CCO3)c1
InChIInChI=1S/C19H30N2O3/c1-16(2)21-8-10-24-19(14-21)13-20(7-9-23-15-19)12-17-5-4-6-18(11-17)22-3/h4-6,11,16H,7-10,12-15H2,1-3H3
InChIKeyIRFBXLZBWGDTHG-UHFFFAOYSA-N
XLogP2.01
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-[(3-methoxyphenyl)methyl]-4-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane with MolForge

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Related Compounds

(6S)-4-[(4-methoxyphenyl)methyl]-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97372995
4-[(3-methoxyphenyl)methyl]-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 155877754
8-[(3-methoxyphenyl)methyl]-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 134077366
8-[(3,4-difluorophenyl)methyl]-4-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane;formic acid
CID 171694032
(5S)-7-[(3-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane
CID 97374289
(6S)-4-[(5-methylfuran-2-yl)methyl]-8-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97372989
1-[4-[(3-methoxyphenyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
CID 131649622
(6S)-4-[(4-methoxyphenyl)methyl]-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97373139
10-[(3-methoxyphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 155876656
7-[(3-methoxyphenyl)methyl]-2-oxa-7-azaspiro[3.5]nonane
CID 97374489
1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid
CID 17366637
8-methylsulfonyl-4-(pyridin-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 131650651

Frequently Asked Questions

What is the IUPAC name of 8-[(3-methoxyphenyl)methyl]-4-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The IUPAC name of 8-[(3-methoxyphenyl)methyl]-4-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (CID 155877545) is 8-[(3-methoxyphenyl)methyl]-4-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.
What is the SMILES notation for 8-[(3-methoxyphenyl)methyl]-4-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The canonical SMILES for 8-[(3-methoxyphenyl)methyl]-4-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is COc1cccc(CN2CCOCC3(C2)CN(C(C)C)CCO3)c1.
What is the InChIKey of 8-[(3-methoxyphenyl)methyl]-4-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The InChIKey is IRFBXLZBWGDTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-16(2)21-8-10-24-19(14-21)13-20(7-9-23-15-19)12-17-5-4-6-18(11-17)22-3/h4-6,11,16H,7-10,12-15H2,1-3H3.
What are the key properties of 8-[(3-methoxyphenyl)methyl]-4-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
8-[(3-methoxyphenyl)methyl]-4-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane has a molecular weight of 334.46 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-methoxyphenyl)methyl]-4-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is sourced from PubChem (CID 155877545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).