4-ethyl-N-(3-phenyl-1,8-dioxa-2,4-diazaspiro[4.5]dec-2-en-4-yl)benzamide

C21H23N3O3 — CID 57435794

IUPAC4-ethyl-N-(3-phenyl-1,8-dioxa-2,4-diazaspiro[4.5]dec-2-en-4-yl)benzamide
SMILESCCc1ccc(C(=O)NN2C(c3ccccc3)=NOC23CCOCC3)cc1
InChIInChI=1S/C21H23N3O3/c1-2-16-8-10-18(11-9-16)20(25)22-24-19(17-6-4-3-5-7-17)23-27-21(24)12-14-26-15-13-21/h3-11H,2,12-15H2,1H3,(H,22,25)
InChIKeyBSVZXOSVKRXNOS-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.09
Rot. Bonds4

About 4-ethyl-N-(3-phenyl-1,8-dioxa-2,4-diazaspiro[4.5]dec-2-en-4-yl)benzamide

4-ethyl-N-(3-phenyl-1,8-dioxa-2,4-diazaspiro[4.5]dec-2-en-4-yl)benzamide (PubChem CID 57435794) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 4-ethyl-N-(3-phenyl-1,8-dioxa-2,4-diazaspiro[4.5]dec-2-en-4-yl)benzamide.

Molecular Properties

Compound Name4-ethyl-N-(3-phenyl-1,8-dioxa-2,4-diazaspiro[4.5]dec-2-en-4-yl)benzamide
PubChem CID57435794
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name4-ethyl-N-(3-phenyl-1,8-dioxa-2,4-diazaspiro[4.5]dec-2-en-4-yl)benzamide
SMILESCCc1ccc(C(=O)NN2C(c3ccccc3)=NOC23CCOCC3)cc1
InChIInChI=1S/C21H23N3O3/c1-2-16-8-10-18(11-9-16)20(25)22-24-19(17-6-4-3-5-7-17)23-27-21(24)12-14-26-15-13-21/h3-11H,2,12-15H2,1H3,(H,22,25)
InChIKeyBSVZXOSVKRXNOS-UHFFFAOYSA-N
XLogP3.09
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-phenyl-1,8-dioxa-2,4-diazaspiro[4.5]dec-2-en-4-yl)benzamide
CID 57435795
2-phenoxy-N-(3-phenyl-1,8-dioxa-2,4-diazaspiro[4.5]dec-2-en-4-yl)acetamide
CID 57435797
sodium;5,5-dimethyl-3-phenyl-1,2,4-oxadiazol-4-amine;N-(5,5-dimethyl-3-phenyl-1,2,4-oxadiazol-4-yl)-4-ethylbenzamide;4-ethylbenzoyl chloride;hydroxide
CID 159085473
sodium;5,5-dimethyl-3-phenyl-1,2,4-oxadiazol-4-amine;N-(5,5-dimethyl-3-phenyl-1,2,4-oxadiazol-4-yl)-4-ethylbenzamide;4-ethylbenzoyl chloride;methane;hydroxide
CID 161306939
N-[3-(3,5-dimethylphenyl)-1-oxa-2,4-diazaspiro[4.4]non-2-en-4-yl]benzamide
CID 24872210
N-[5,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-4-yl]-4-ethylbenzamide
CID 10341329
2-[4-[(4-ethylbenzoyl)amino]oxan-4-yl]acetic acid
CID 119215520
4-ethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 2677776
N-(2-benzamidoethyl)-4-ethylbenzamide
CID 84532761
N-hydroxy-4-[(4-phenylphenyl)methoxy]oxane-4-carboxamide
CID 87317670
3-(4-ethylphenyl)-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 6044027
4-ethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164786

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3-phenyl-1,8-dioxa-2,4-diazaspiro[4.5]dec-2-en-4-yl)benzamide?
The IUPAC name of 4-ethyl-N-(3-phenyl-1,8-dioxa-2,4-diazaspiro[4.5]dec-2-en-4-yl)benzamide (CID 57435794) is 4-ethyl-N-(3-phenyl-1,8-dioxa-2,4-diazaspiro[4.5]dec-2-en-4-yl)benzamide.
What is the SMILES notation for 4-ethyl-N-(3-phenyl-1,8-dioxa-2,4-diazaspiro[4.5]dec-2-en-4-yl)benzamide?
The canonical SMILES for 4-ethyl-N-(3-phenyl-1,8-dioxa-2,4-diazaspiro[4.5]dec-2-en-4-yl)benzamide is CCc1ccc(C(=O)NN2C(c3ccccc3)=NOC23CCOCC3)cc1.
What is the InChIKey of 4-ethyl-N-(3-phenyl-1,8-dioxa-2,4-diazaspiro[4.5]dec-2-en-4-yl)benzamide?
The InChIKey is BSVZXOSVKRXNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-2-16-8-10-18(11-9-16)20(25)22-24-19(17-6-4-3-5-7-17)23-27-21(24)12-14-26-15-13-21/h3-11H,2,12-15H2,1H3,(H,22,25).
What are the key properties of 4-ethyl-N-(3-phenyl-1,8-dioxa-2,4-diazaspiro[4.5]dec-2-en-4-yl)benzamide?
4-ethyl-N-(3-phenyl-1,8-dioxa-2,4-diazaspiro[4.5]dec-2-en-4-yl)benzamide has a molecular weight of 365.43 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3-phenyl-1,8-dioxa-2,4-diazaspiro[4.5]dec-2-en-4-yl)benzamide is sourced from PubChem (CID 57435794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).