(3,4-dimethoxyphenyl)-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)methanone

C21H23N3O4 — CID 91888924

IUPAC(3,4-dimethoxyphenyl)-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC3(CC2)N=C(c2ccccc2)NO3)cc1OC
InChIInChI=1S/C21H23N3O4/c1-26-17-9-8-16(14-18(17)27-2)20(25)24-12-10-21(11-13-24)22-19(23-28-21)15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3,(H,22,23)
InChIKeyFCXZUYSCPFQVQV-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.62
Rot. Bonds4

About (3,4-dimethoxyphenyl)-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)methanone

(3,4-dimethoxyphenyl)-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)methanone (PubChem CID 91888924) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)methanone
PubChem CID91888924
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name(3,4-dimethoxyphenyl)-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC3(CC2)N=C(c2ccccc2)NO3)cc1OC
InChIInChI=1S/C21H23N3O4/c1-26-17-9-8-16(14-18(17)27-2)20(25)24-12-10-21(11-13-24)22-19(23-28-21)15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3,(H,22,23)
InChIKeyFCXZUYSCPFQVQV-UHFFFAOYSA-N
XLogP2.62
TPSA72.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(3-bromophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]-(4-methoxyphenyl)methanone
CID 91888865
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
N-[3-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene-8-carbonyl]phenyl]acetamide
CID 91888876
[3-(4-bromophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]-(3-fluorophenyl)methanone
CID 91888940
(3,4-dimethoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406157
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
(3,4-dimethoxyphenyl)-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 133329934
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone
CID 650859
1-(4-chloro-3-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 120512900
(3,4-dimethoxyphenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
CID 16668120
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 39572485
3-(3-methoxyphenyl)-1-[3-(4-methylphenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl]propan-1-one
CID 91906500

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)methanone (CID 91888924) is (3,4-dimethoxyphenyl)-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)methanone is COc1ccc(C(=O)N2CCC3(CC2)N=C(c2ccccc2)NO3)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)methanone?
The InChIKey is FCXZUYSCPFQVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-26-17-9-8-16(14-18(17)27-2)20(25)24-12-10-21(11-13-24)22-19(23-28-21)15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3,(H,22,23).
What are the key properties of (3,4-dimethoxyphenyl)-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)methanone?
(3,4-dimethoxyphenyl)-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)methanone has a molecular weight of 381.43 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-3-en-8-yl)methanone is sourced from PubChem (CID 91888924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).