5-[2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]furan-2-carbaldehyde

C22H28N2O3 — CID 169332838

IUPAC5-[2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]furan-2-carbaldehyde
SMILESCOc1cc(N2CCC3(CCN(C)CC3)CC2)ccc1-c1ccc(C=O)o1
InChIInChI=1S/C22H28N2O3/c1-23-11-7-22(8-12-23)9-13-24(14-10-22)17-3-5-19(21(15-17)26-2)20-6-4-18(16-25)27-20/h3-6,15-16H,7-14H2,1-2H3
InChIKeyCEDIQAKUHYCJDD-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.08
Rot. Bonds4

About 5-[2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]furan-2-carbaldehyde

5-[2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]furan-2-carbaldehyde (PubChem CID 169332838) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 5-[2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]furan-2-carbaldehyde
PubChem CID169332838
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name5-[2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]furan-2-carbaldehyde
SMILESCOc1cc(N2CCC3(CCN(C)CC3)CC2)ccc1-c1ccc(C=O)o1
InChIInChI=1S/C22H28N2O3/c1-23-11-7-22(8-12-23)9-13-24(14-10-22)17-3-5-19(21(15-17)26-2)20-6-4-18(16-25)27-20/h3-6,15-16H,7-14H2,1-2H3
InChIKeyCEDIQAKUHYCJDD-UHFFFAOYSA-N
XLogP4.08
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(Furan-2-yl)-2-oxoethyl] 4-(diethylamino)benzoate
CID 2435261
(E)-1-[4-(dimethylamino)-2-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-en-1-one
CID 71817458
2-(Benzyloxy)-4-(diethylamino)benzaldehyde
CID 976942
6-(Diethylamino)-2-benzofurancarboxaldehyde
CID 14716710
3,6-Di(piperidin-1-yl)xanthen-9-one
CID 67218090
6-(Diethylamino)benzofuran-3(2H)-one
CID 605467
3-(Diethylamino)xanthen-9-one
CID 44512477
3-Methoxy-2-phenyl-7-pyrrolidin-1-ylchromen-4-one
CID 101857342
5-[4-(4-Ethylpiperazin-1-yl)-3-fluorophenyl]furan-2-carbaldehyde
CID 169332323
5-[3-Fluoro-4-(4-methylpiperidin-1-yl)phenyl]furan-2-carbaldehyde
CID 169332995
5-[4-Piperidin-1-yl-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde
CID 169334056
5-(3-Fluoro-4-piperidin-1-ylphenyl)furan-2-carbaldehyde
CID 169334209

Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]furan-2-carbaldehyde (CID 169332838) is 5-[2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]furan-2-carbaldehyde is COc1cc(N2CCC3(CCN(C)CC3)CC2)ccc1-c1ccc(C=O)o1.
What is the InChIKey of 5-[2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]furan-2-carbaldehyde?
The InChIKey is CEDIQAKUHYCJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-23-11-7-22(8-12-23)9-13-24(14-10-22)17-3-5-19(21(15-17)26-2)20-6-4-18(16-25)27-20/h3-6,15-16H,7-14H2,1-2H3.
What are the key properties of 5-[2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]furan-2-carbaldehyde?
5-[2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]furan-2-carbaldehyde has a molecular weight of 368.48 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169332838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).