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

C23H27N3O2 — CID 91374336

IUPAC3-phenyl-N-(2-propylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
SMILESCCCc1ccccc1NC(=O)N1CCC2(C=C(c3ccccc3)NO2)CC1
InChIInChI=1S/C23H27N3O2/c1-2-8-18-11-6-7-12-20(18)24-22(27)26-15-13-23(14-16-26)17-21(25-28-23)19-9-4-3-5-10-19/h3-7,9-12,17,25H,2,8,13-16H2,1H3,(H,24,27)
InChIKeyXBTROEBLOVYMHR-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.58
Rot. Bonds4

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

3-phenyl-N-(2-propylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide (PubChem CID 91374336) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-phenyl-N-(2-propylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-(2-propylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
PubChem CID91374336
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name3-phenyl-N-(2-propylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
SMILESCCCc1ccccc1NC(=O)N1CCC2(C=C(c3ccccc3)NO2)CC1
InChIInChI=1S/C23H27N3O2/c1-2-8-18-11-6-7-12-20(18)24-22(27)26-15-13-23(14-16-26)17-21(25-28-23)19-9-4-3-5-10-19/h3-7,9-12,17,25H,2,8,13-16H2,1H3,(H,24,27)
InChIKeyXBTROEBLOVYMHR-UHFFFAOYSA-N
XLogP4.58
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-propylphenyl)-3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 91098319
3-(4-tert-butylphenyl)-N-(2-ethylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 90997026
N-(2-ethylphenyl)-3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 90892410
N-(4-tert-butylphenyl)-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 91553063
2-(4-tert-butylphenyl)-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)ethanone
CID 91428603
3-(4-tert-butylphenyl)-N-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 90799149
3-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 91347677
3-(4-methylphenyl)-N-(4-propan-2-ylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 91172790
N-(3-chlorophenyl)-3-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 90899822
3-(4-tert-butylphenyl)-N-(4-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 91597306
2-(4-tert-butylphenyl)-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl)propan-1-one
CID 90817541
N-(3-chlorophenyl)-3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
CID 90850502

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(2-propylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?
The IUPAC name of 3-phenyl-N-(2-propylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide (CID 91374336) is 3-phenyl-N-(2-propylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide.
What is the SMILES notation for 3-phenyl-N-(2-propylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?
The canonical SMILES for 3-phenyl-N-(2-propylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide is CCCc1ccccc1NC(=O)N1CCC2(C=C(c3ccccc3)NO2)CC1.
What is the InChIKey of 3-phenyl-N-(2-propylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?
The InChIKey is XBTROEBLOVYMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-2-8-18-11-6-7-12-20(18)24-22(27)26-15-13-23(14-16-26)17-21(25-28-23)19-9-4-3-5-10-19/h3-7,9-12,17,25H,2,8,13-16H2,1H3,(H,24,27).
What are the key properties of 3-phenyl-N-(2-propylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?
3-phenyl-N-(2-propylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(2-propylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide is sourced from PubChem (CID 91374336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).