2-[2-(2-acetamido-4,6-dichlorophenyl)-2,6-diazaspiro[3.3]heptan-6-yl]-N-tert-butylacetamide

C19H26Cl2N4O2 — CID 169215274

IUPAC2-[2-(2-acetamido-4,6-dichlorophenyl)-2,6-diazaspiro[3.3]heptan-6-yl]-N-tert-butylacetamide
SMILESCC(=O)Nc1cc(Cl)cc(Cl)c1N1CC2(CN(CC(=O)NC(C)(C)C)C2)C1
InChIInChI=1S/C19H26Cl2N4O2/c1-12(26)22-15-6-13(20)5-14(21)17(15)25-10-19(11-25)8-24(9-19)7-16(27)23-18(2,3)4/h5-6H,7-11H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyKXCUWBOGJNMDLO-UHFFFAOYSA-N
MW413.35 g/mol
LogP2.99
Rot. Bonds4

About 2-[2-(2-acetamido-4,6-dichlorophenyl)-2,6-diazaspiro[3.3]heptan-6-yl]-N-tert-butylacetamide

2-[2-(2-acetamido-4,6-dichlorophenyl)-2,6-diazaspiro[3.3]heptan-6-yl]-N-tert-butylacetamide (PubChem CID 169215274) has the molecular formula C19H26Cl2N4O2 and a molecular weight of 413.35 g/mol. Its IUPAC name is 2-[2-(2-acetamido-4,6-dichlorophenyl)-2,6-diazaspiro[3.3]heptan-6-yl]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[2-(2-acetamido-4,6-dichlorophenyl)-2,6-diazaspiro[3.3]heptan-6-yl]-N-tert-butylacetamide
PubChem CID169215274
Molecular FormulaC19H26Cl2N4O2
Molecular Weight413.35 g/mol
Exact Mass412.14
IUPAC Name2-[2-(2-acetamido-4,6-dichlorophenyl)-2,6-diazaspiro[3.3]heptan-6-yl]-N-tert-butylacetamide
SMILESCC(=O)Nc1cc(Cl)cc(Cl)c1N1CC2(CN(CC(=O)NC(C)(C)C)C2)C1
InChIInChI=1S/C19H26Cl2N4O2/c1-12(26)22-15-6-13(20)5-14(21)17(15)25-10-19(11-25)8-24(9-19)7-16(27)23-18(2,3)4/h5-6H,7-11H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyKXCUWBOGJNMDLO-UHFFFAOYSA-N
XLogP2.99
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.35
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetamide
CID 170256764
2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(4-chloro-2-fluorophenyl)acetamide
CID 9131120
(2R)-2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(2,4-dichlorophenyl)propanamide
CID 9131167
N-tert-butyl-2-(4-oxopiperidin-1-yl)acetamide
CID 24704213
N-tert-butyl-2-(3-methyl-3-propylazetidin-1-yl)acetamide
CID 169216248
2-[2-(tert-butylamino)-2-oxoethyl]-N-[3-(difluoromethoxy)-5-fluorophenyl]-2-azaspiro[3.3]heptane-6-carboxamide
CID 169216534
N-tert-butyl-2-[6-(methylaminomethyl)-2-azaspiro[3.3]heptan-2-yl]acetamide;2,5-dimethylpyrazole-3-carbaldehyde
CID 169216916
6-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chloro-5-methylphenyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 163999803
2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
CID 115873788
CID 163296568
CID 163296568
2-[2-[2-(tert-butylamino)-2-oxoethyl]-2-azaspiro[3.3]heptan-6-yl]-N-[3-(difluoromethyl)-5-fluorophenyl]acetamide
CID 169216848
N-tert-butyl-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 51199670

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-acetamido-4,6-dichlorophenyl)-2,6-diazaspiro[3.3]heptan-6-yl]-N-tert-butylacetamide?
The IUPAC name of 2-[2-(2-acetamido-4,6-dichlorophenyl)-2,6-diazaspiro[3.3]heptan-6-yl]-N-tert-butylacetamide (CID 169215274) is 2-[2-(2-acetamido-4,6-dichlorophenyl)-2,6-diazaspiro[3.3]heptan-6-yl]-N-tert-butylacetamide.
What is the SMILES notation for 2-[2-(2-acetamido-4,6-dichlorophenyl)-2,6-diazaspiro[3.3]heptan-6-yl]-N-tert-butylacetamide?
The canonical SMILES for 2-[2-(2-acetamido-4,6-dichlorophenyl)-2,6-diazaspiro[3.3]heptan-6-yl]-N-tert-butylacetamide is CC(=O)Nc1cc(Cl)cc(Cl)c1N1CC2(CN(CC(=O)NC(C)(C)C)C2)C1.
What is the InChIKey of 2-[2-(2-acetamido-4,6-dichlorophenyl)-2,6-diazaspiro[3.3]heptan-6-yl]-N-tert-butylacetamide?
The InChIKey is KXCUWBOGJNMDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26Cl2N4O2/c1-12(26)22-15-6-13(20)5-14(21)17(15)25-10-19(11-25)8-24(9-19)7-16(27)23-18(2,3)4/h5-6H,7-11H2,1-4H3,(H,22,26)(H,23,27).
What are the key properties of 2-[2-(2-acetamido-4,6-dichlorophenyl)-2,6-diazaspiro[3.3]heptan-6-yl]-N-tert-butylacetamide?
2-[2-(2-acetamido-4,6-dichlorophenyl)-2,6-diazaspiro[3.3]heptan-6-yl]-N-tert-butylacetamide has a molecular weight of 413.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-acetamido-4,6-dichlorophenyl)-2,6-diazaspiro[3.3]heptan-6-yl]-N-tert-butylacetamide is sourced from PubChem (CID 169215274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).