N-(3,5-dimethoxyphenyl)-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide

C28H29N3O4 — CID 24955236

IUPACN-(3,5-dimethoxyphenyl)-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESCOc1cc(NC(=O)N2CCC3(CC2)C(=O)N(c2ccccc2)C3c2ccccc2)cc(OC)c1
InChIInChI=1S/C28H29N3O4/c1-34-23-17-21(18-24(19-23)35-2)29-27(33)30-15-13-28(14-16-30)25(20-9-5-3-6-10-20)31(26(28)32)22-11-7-4-8-12-22/h3-12,17-19,25H,13-16H2,1-2H3,(H,29,33)
InChIKeyUHVODNOYCJNYNO-UHFFFAOYSA-N
MW471.56 g/mol
LogP5.11
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide

N-(3,5-dimethoxyphenyl)-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 24955236) has the molecular formula C28H29N3O4 and a molecular weight of 471.56 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID24955236
Molecular FormulaC28H29N3O4
Molecular Weight471.56 g/mol
Exact Mass471.22
IUPAC NameN-(3,5-dimethoxyphenyl)-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESCOc1cc(NC(=O)N2CCC3(CC2)C(=O)N(c2ccccc2)C3c2ccccc2)cc(OC)c1
InChIInChI=1S/C28H29N3O4/c1-34-23-17-21(18-24(19-23)35-2)29-27(33)30-15-13-28(14-16-30)25(20-9-5-3-6-10-20)31(26(28)32)22-11-7-4-8-12-22/h3-12,17-19,25H,13-16H2,1-2H3,(H,29,33)
InChIKeyUHVODNOYCJNYNO-UHFFFAOYSA-N
XLogP5.11
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.56
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-3-oxo-1,2-diphenyl-N-[4-(2-phenylpropan-2-yl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 44570932
(1R)-3-oxo-1,2-diphenyl-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 44571023
1-(4-chlorophenyl)-3-oxo-N-(4-phenoxyphenyl)-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 24951866
N-(3-chloro-2-methylphenyl)-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 24952584
N-(3,5-dimethoxyphenyl)-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 3993791
N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 47162141
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
3-oxo-1-phenyl-2-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 24953805
1-(4-chlorophenyl)-N-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 59688484
N-(3-methoxyphenyl)-4-methyl-4-(methylamino)piperidine-1-carboxamide
CID 115304682
4-tert-butyl-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113110333
1,2-bis(4-methoxyphenyl)-2-azaspiro[3.4]octan-3-one
CID 2945930

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide (CID 24955236) is N-(3,5-dimethoxyphenyl)-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide is COc1cc(NC(=O)N2CCC3(CC2)C(=O)N(c2ccccc2)C3c2ccccc2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is UHVODNOYCJNYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O4/c1-34-23-17-21(18-24(19-23)35-2)29-27(33)30-15-13-28(14-16-30)25(20-9-5-3-6-10-20)31(26(28)32)22-11-7-4-8-12-22/h3-12,17-19,25H,13-16H2,1-2H3,(H,29,33).
What are the key properties of N-(3,5-dimethoxyphenyl)-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
N-(3,5-dimethoxyphenyl)-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 471.56 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-oxo-1,2-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 24955236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).