3-[2-(dimethylamino)ethyl]-8-[(3-hydroxy-4-methoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C19H29N3O4 — CID 70720095

IUPAC3-[2-(dimethylamino)ethyl]-8-[(3-hydroxy-4-methoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOc1ccc(CN2CCC3(CC2)CN(CCN(C)C)C(=O)O3)cc1O
InChIInChI=1S/C19H29N3O4/c1-20(2)10-11-22-14-19(26-18(22)24)6-8-21(9-7-19)13-15-4-5-17(25-3)16(23)12-15/h4-5,12,23H,6-11,13-14H2,1-3H3
InChIKeyILWBOANSZOJAKM-UHFFFAOYSA-N
MW363.46 g/mol
LogP1.75
Rot. Bonds6

About 3-[2-(dimethylamino)ethyl]-8-[(3-hydroxy-4-methoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[2-(dimethylamino)ethyl]-8-[(3-hydroxy-4-methoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70720095) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-8-[(3-hydroxy-4-methoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-8-[(3-hydroxy-4-methoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70720095
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name3-[2-(dimethylamino)ethyl]-8-[(3-hydroxy-4-methoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOc1ccc(CN2CCC3(CC2)CN(CCN(C)C)C(=O)O3)cc1O
InChIInChI=1S/C19H29N3O4/c1-20(2)10-11-22-14-19(26-18(22)24)6-8-21(9-7-19)13-15-4-5-17(25-3)16(23)12-15/h4-5,12,23H,6-11,13-14H2,1-3H3
InChIKeyILWBOANSZOJAKM-UHFFFAOYSA-N
XLogP1.75
TPSA65.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(3-methylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70731676
2-methoxy-5-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenol
CID 102746757
5-[(4,4-dimethylazepan-1-yl)methyl]-2-methoxyphenol
CID 82981011
3-[2-(dimethylamino)ethyl]-8-[(E)-3-phenylprop-2-enyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70776070
2-methoxy-5-[(4-propylpiperazin-1-yl)methyl]phenol
CID 115280838
2-[9-[(3-hydroxy-4-methoxyphenyl)methyl]-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]acetamide
CID 70717213
4-[[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]methyl]benzoic acid
CID 70776773
3-[2-(dimethylamino)ethyl]-8-[(3S)-3-(5-methylfuran-2-yl)butyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 95862402
3-[2-(4-ethylpiperazin-1-yl)ethyl]-8-[(4-methylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70746992
7-cyclohexyl-2-[(3-hydroxy-4-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72941178
2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenol
CID 82979671
5-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-2-methoxyaniline
CID 62886240

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-8-[(3-hydroxy-4-methoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-8-[(3-hydroxy-4-methoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70720095) is 3-[2-(dimethylamino)ethyl]-8-[(3-hydroxy-4-methoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-8-[(3-hydroxy-4-methoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-8-[(3-hydroxy-4-methoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is COc1ccc(CN2CCC3(CC2)CN(CCN(C)C)C(=O)O3)cc1O.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-8-[(3-hydroxy-4-methoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is ILWBOANSZOJAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-20(2)10-11-22-14-19(26-18(22)24)6-8-21(9-7-19)13-15-4-5-17(25-3)16(23)12-15/h4-5,12,23H,6-11,13-14H2,1-3H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-8-[(3-hydroxy-4-methoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[2-(dimethylamino)ethyl]-8-[(3-hydroxy-4-methoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 363.46 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-8-[(3-hydroxy-4-methoxyphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70720095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).