(5R)-9-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C20H31N3O3 — CID 95896895

IUPAC(5R)-9-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCN(C)CCCOc1ccccc1CN1CCC[C@@]2(C1)CN(C)C(=O)O2
InChIInChI=1S/C20H31N3O3/c1-21(2)11-7-13-25-18-9-5-4-8-17(18)14-23-12-6-10-20(16-23)15-22(3)19(24)26-20/h4-5,8-9H,6-7,10-16H2,1-3H3/t20-/m0/s1
InChIKeyALYRXZKRTFOVED-FQEVSTJZSA-N
MW361.49 g/mol
LogP2.43
Rot. Bonds7

About (5R)-9-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

(5R)-9-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 95896895) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is (5R)-9-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5R)-9-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID95896895
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name(5R)-9-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCN(C)CCCOc1ccccc1CN1CCC[C@@]2(C1)CN(C)C(=O)O2
InChIInChI=1S/C20H31N3O3/c1-21(2)11-7-13-25-18-9-5-4-8-17(18)14-23-12-6-10-20(16-23)15-22(3)19(24)26-20/h4-5,8-9H,6-7,10-16H2,1-3H3/t20-/m0/s1
InChIKeyALYRXZKRTFOVED-FQEVSTJZSA-N
XLogP2.43
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(5R)-9-[3-(2-methoxyphenoxy)propyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95729019
3-methyl-9-(4-phenoxybutyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56890846
3-methyl-9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56886578
(5S)-3-(4-chlorophenyl)-7-[[2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 129455940
9-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 77096294
9-[(2,3-dimethyl-1H-indol-7-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56906368
3-methyl-9-[2-(4-propoxyphenoxy)ethyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56914456
9-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56912030
N,N-dimethyl-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine
CID 170866493
(5S)-9-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95873408
9-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56900091
(5R)-9-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95722332

Frequently Asked Questions

What is the IUPAC name of (5R)-9-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5R)-9-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 95896895) is (5R)-9-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5R)-9-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5R)-9-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is CN(C)CCCOc1ccccc1CN1CCC[C@@]2(C1)CN(C)C(=O)O2.
What is the InChIKey of (5R)-9-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is ALYRXZKRTFOVED-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-21(2)11-7-13-25-18-9-5-4-8-17(18)14-23-12-6-10-20(16-23)15-22(3)19(24)26-20/h4-5,8-9H,6-7,10-16H2,1-3H3/t20-/m0/s1.
What are the key properties of (5R)-9-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
(5R)-9-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 361.49 g/mol, XLogP of 2.43, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 95896895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).