9-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C19H26N2O3 — CID 97384670

IUPAC9-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESC=CCN1CC2(CCN(Cc3ccc(OC)cc3)CC2)OCC1=O
InChIInChI=1S/C19H26N2O3/c1-3-10-21-15-19(24-14-18(21)22)8-11-20(12-9-19)13-16-4-6-17(23-2)7-5-16/h3-7H,1,8-15H2,2H3
InChIKeyRGRPGIWNRRJZFC-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.07
Rot. Bonds5

About 9-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97384670) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 9-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID97384670
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name9-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESC=CCN1CC2(CCN(Cc3ccc(OC)cc3)CC2)OCC1=O
InChIInChI=1S/C19H26N2O3/c1-3-10-21-15-19(24-14-18(21)22)8-11-20(12-9-19)13-16-4-6-17(23-2)7-5-16/h3-7H,1,8-15H2,2H3
InChIKeyRGRPGIWNRRJZFC-UHFFFAOYSA-N
XLogP2.07
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-[(5-methylfuran-2-yl)methyl]-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471398
4-(3-fluorophenyl)-9-[(4-methoxyphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985981
1-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1,4-diazepane
CID 51075596
9-(2-methylfuran-3-carbonyl)-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471407
(3aR,8aS)-5-[(4-methoxyphenyl)methyl]-2-prop-2-enyl-3,3a,4,6,7,8-hexahydro-1H-pyrrolo[3,4-c]azepine-8a-carboxylic acid
CID 124797189
4-prop-2-enyl-9-(thiophene-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97384675
(5S,9S)-7-[(4-methoxyphenyl)methyl]-9-methyl-2-prop-2-enyl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 155839763
8-[(4-methoxyphenyl)methyl]-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 131639696
1-but-3-enylsulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 86779442
9-[(4-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane;tris(2,2,2-trifluoroacetic acid)
CID 155849939
(5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 97374214
9-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane;tris(2,2,2-trifluoroacetic acid)
CID 155824898

Frequently Asked Questions

What is the IUPAC name of 9-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 97384670) is 9-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is C=CCN1CC2(CCN(Cc3ccc(OC)cc3)CC2)OCC1=O.
What is the InChIKey of 9-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is RGRPGIWNRRJZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-3-10-21-15-19(24-14-18(21)22)8-11-20(12-9-19)13-16-4-6-17(23-2)7-5-16/h3-7H,1,8-15H2,2H3.
What are the key properties of 9-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 330.43 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97384670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).