6-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chloro-5-methylphenyl)-6-azaspiro[2.5]octane-2-carboxamide

C21H30ClN3O2 — CID 163999803

IUPAC6-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chloro-5-methylphenyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1cc(Cl)cc(NC(=O)C2CC23CCN(CC(=O)NC(C)(C)C)CC3)c1
InChIInChI=1S/C21H30ClN3O2/c1-14-9-15(22)11-16(10-14)23-19(27)17-12-21(17)5-7-25(8-6-21)13-18(26)24-20(2,3)4/h9-11,17H,5-8,12-13H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyUHYQFQKUDXTYOQ-UHFFFAOYSA-N
MW391.94 g/mol
LogP3.60
Rot. Bonds4

About 6-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chloro-5-methylphenyl)-6-azaspiro[2.5]octane-2-carboxamide

6-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chloro-5-methylphenyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 163999803) has the molecular formula C21H30ClN3O2 and a molecular weight of 391.94 g/mol. Its IUPAC name is 6-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chloro-5-methylphenyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name6-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chloro-5-methylphenyl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID163999803
Molecular FormulaC21H30ClN3O2
Molecular Weight391.94 g/mol
Exact Mass391.20
IUPAC Name6-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chloro-5-methylphenyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1cc(Cl)cc(NC(=O)C2CC23CCN(CC(=O)NC(C)(C)C)CC3)c1
InChIInChI=1S/C21H30ClN3O2/c1-14-9-15(22)11-16(10-14)23-19(27)17-12-21(17)5-7-25(8-6-21)13-18(26)24-20(2,3)4/h9-11,17H,5-8,12-13H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyUHYQFQKUDXTYOQ-UHFFFAOYSA-N
XLogP3.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.94
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chloro-5-methylphenyl)-6-azaspiro[2.5]octane-2-carboxamide with MolForge

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Related Compounds

6-[2-(tert-butylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 145310242
N-[3,5-bis(trifluoromethyl)phenyl]-6-[2-(tert-butylamino)-2-oxoethyl]-6-azaspiro[2.5]octane-2-carboxamide;ethane
CID 145310257
(2S)-6-[2-(tert-butylamino)-2-oxoethyl]-N-[3-fluoro-5-(trifluoromethyl)phenyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 129116156
N-tert-butyl-2-(2-methyl-6-azaspiro[2.5]octan-6-yl)acetamide
CID 146383586
1-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chlorophenyl)piperidine-4-carboxamide
CID 170153363
(2R)-N-(3,5-dimethylphenyl)-6-(2-imidazol-1-ylacetyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42431804
N-(3,5-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 6468728
N-(3,5-dimethylphenyl)-6-[(4-pyrimidin-2-yloxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45188828
N-(3,5-dimethylphenyl)-6-[(4-hydroxy-2-methoxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126463598
2-[2-(tert-butylamino)acetyl]-N-(3-chloro-5-methylphenyl)-2-azaspiro[3.3]heptane-6-carboxamide
CID 169216800
N-(3,5-dimethylphenyl)-6-(oxolane-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126467627
(2R)-N-(3,5-dimethylphenyl)-6-(3-phenylprop-2-ynoyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42248101

Frequently Asked Questions

What is the IUPAC name of 6-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chloro-5-methylphenyl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of 6-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chloro-5-methylphenyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 163999803) is 6-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chloro-5-methylphenyl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for 6-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chloro-5-methylphenyl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for 6-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chloro-5-methylphenyl)-6-azaspiro[2.5]octane-2-carboxamide is Cc1cc(Cl)cc(NC(=O)C2CC23CCN(CC(=O)NC(C)(C)C)CC3)c1.
What is the InChIKey of 6-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chloro-5-methylphenyl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is UHYQFQKUDXTYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClN3O2/c1-14-9-15(22)11-16(10-14)23-19(27)17-12-21(17)5-7-25(8-6-21)13-18(26)24-20(2,3)4/h9-11,17H,5-8,12-13H2,1-4H3,(H,23,27)(H,24,26).
What are the key properties of 6-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chloro-5-methylphenyl)-6-azaspiro[2.5]octane-2-carboxamide?
6-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chloro-5-methylphenyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 391.94 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chloro-5-methylphenyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 163999803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).