3-(4-chlorophenyl)-N-(2-ethoxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide

C25H32ClN3O2 — CID 24829774

IUPAC3-(4-chlorophenyl)-N-(2-ethoxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCC2(CC1)CN(C(C)C)C2c1ccc(Cl)cc1
InChIInChI=1S/C25H32ClN3O2/c1-4-31-22-8-6-5-7-21(22)27-24(30)28-15-13-25(14-16-28)17-29(18(2)3)23(25)19-9-11-20(26)12-10-19/h5-12,18,23H,4,13-17H2,1-3H3,(H,27,30)
InChIKeyCUPVSQUZDVEFER-UHFFFAOYSA-N
MW442.00 g/mol
LogP5.82
Rot. Bonds5

About 3-(4-chlorophenyl)-N-(2-ethoxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide

3-(4-chlorophenyl)-N-(2-ethoxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 24829774) has the molecular formula C25H32ClN3O2 and a molecular weight of 442.00 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(2-ethoxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(2-ethoxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID24829774
Molecular FormulaC25H32ClN3O2
Molecular Weight442.00 g/mol
Exact Mass441.22
IUPAC Name3-(4-chlorophenyl)-N-(2-ethoxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCC2(CC1)CN(C(C)C)C2c1ccc(Cl)cc1
InChIInChI=1S/C25H32ClN3O2/c1-4-31-22-8-6-5-7-21(22)27-24(30)28-15-13-25(14-16-28)17-29(18(2)3)23(25)19-9-11-20(26)12-10-19/h5-12,18,23H,4,13-17H2,1-3H3,(H,27,30)
InChIKeyCUPVSQUZDVEFER-UHFFFAOYSA-N
XLogP5.82
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.00
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-N-(2,4-difluorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 24899767
N-(2-ethylphenyl)-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 59686199
methyl (2S)-2-[[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]amino]-4-methylpentanoate
CID 59686181
4-[2-(4-chlorophenoxy)acetyl]-N-(2-ethoxyphenyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 3540252
4-cyclopropylidene-N-(2-ethoxyphenyl)piperidine-1-carboxamide
CID 121187160
2-(4-chlorophenyl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 50747134
N-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 108988617
4-benzyl-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 6468674
N-(2-ethoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108989544
N-(2-ethoxyphenyl)-1-oxa-4-thia-8-azaspiro[4.5]decane-8-carboxamide
CID 90510786
N-(2-ethoxyphenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
CID 4145535
(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 164635653

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(2-ethoxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(2-ethoxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide (CID 24829774) is 3-(4-chlorophenyl)-N-(2-ethoxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(2-ethoxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(2-ethoxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide is CCOc1ccccc1NC(=O)N1CCC2(CC1)CN(C(C)C)C2c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(2-ethoxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is CUPVSQUZDVEFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN3O2/c1-4-31-22-8-6-5-7-21(22)27-24(30)28-15-13-25(14-16-28)17-29(18(2)3)23(25)19-9-11-20(26)12-10-19/h5-12,18,23H,4,13-17H2,1-3H3,(H,27,30).
What are the key properties of 3-(4-chlorophenyl)-N-(2-ethoxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
3-(4-chlorophenyl)-N-(2-ethoxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 442.00 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(2-ethoxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 24829774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).