N-(2-ethylphenyl)-3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide

C23H27N3O3 — CID 90892410

IUPACN-(2-ethylphenyl)-3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCC2(C=C(c3cccc(OC)c3)NO2)CC1
InChIInChI=1S/C23H27N3O3/c1-3-17-7-4-5-10-20(17)24-22(27)26-13-11-23(12-14-26)16-21(25-29-23)18-8-6-9-19(15-18)28-2/h4-10,15-16,25H,3,11-14H2,1-2H3,(H,24,27)
InChIKeySDYQHQJBQYTSTH-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.20
Rot. Bonds4

About N-(2-ethylphenyl)-3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide

N-(2-ethylphenyl)-3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide (PubChem CID 90892410) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
PubChem CID90892410
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-(2-ethylphenyl)-3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCC2(C=C(c3cccc(OC)c3)NO2)CC1
InChIInChI=1S/C23H27N3O3/c1-3-17-7-4-5-10-20(17)24-22(27)26-13-11-23(12-14-26)16-21(25-29-23)18-8-6-9-19(15-18)28-2/h4-10,15-16,25H,3,11-14H2,1-2H3,(H,24,27)
InChIKeySDYQHQJBQYTSTH-UHFFFAOYSA-N
XLogP4.20
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 91347677
3-(4-tert-butylphenyl)-N-(2-ethylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 90997026
3-phenyl-N-(2-propylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 91374336
N-(3-chlorophenyl)-3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 90850502
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 91209047
N-(2-propylphenyl)-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 91098319
O-[[3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl]] N-(3-methoxyphenyl)carbamothioate
CID 90933555
3-tert-butyl-1-[3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl]-5-phenylpenta-2,4-dien-1-one
CID 91343337
[3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-cyclohexylcarbamate
CID 91148342
N-(4-tert-butylphenyl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 91553063
N-(3-chlorophenyl)-3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 90899822
N-(2-ethylphenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 6467053

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide (CID 90892410) is N-(2-ethylphenyl)-3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide is CCc1ccccc1NC(=O)N1CCC2(C=C(c3cccc(OC)c3)NO2)CC1.
What is the InChIKey of N-(2-ethylphenyl)-3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?
The InChIKey is SDYQHQJBQYTSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-3-17-7-4-5-10-20(17)24-22(27)26-13-11-23(12-14-26)16-21(25-29-23)18-8-6-9-19(15-18)28-2/h4-10,15-16,25H,3,11-14H2,1-2H3,(H,24,27).
What are the key properties of N-(2-ethylphenyl)-3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?
N-(2-ethylphenyl)-3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide is sourced from PubChem (CID 90892410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).