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

C22H33N3O2 — CID 145310242

IUPAC6-[2-(tert-butylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)C2CC23CCN(CC(=O)NC(C)(C)C)CC3)c1
InChIInChI=1S/C22H33N3O2/c1-15-10-16(2)12-17(11-15)23-20(27)18-13-22(18)6-8-25(9-7-22)14-19(26)24-21(3,4)5/h10-12,18H,6-9,13-14H2,1-5H3,(H,23,27)(H,24,26)
InChIKeySPJSJEJEFHWXKI-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.26
Rot. Bonds4

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

6-[2-(tert-butylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 145310242) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 6-[2-(tert-butylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name6-[2-(tert-butylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID145310242
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name6-[2-(tert-butylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)C2CC23CCN(CC(=O)NC(C)(C)C)CC3)c1
InChIInChI=1S/C22H33N3O2/c1-15-10-16(2)12-17(11-15)23-20(27)18-13-22(18)6-8-25(9-7-22)14-19(26)24-21(3,4)5/h10-12,18H,6-9,13-14H2,1-5H3,(H,23,27)(H,24,26)
InChIKeySPJSJEJEFHWXKI-UHFFFAOYSA-N
XLogP3.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chloro-5-methylphenyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 163999803
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
(2R)-N-(3,5-dimethylphenyl)-6-(2-imidazol-1-ylacetyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42431804
N-(3,5-dimethylphenyl)-6-[(4-hydroxy-2-methoxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126463598
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-(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
(1R)-2,2-dichloro-N-(3,5-dimethylphenyl)cyclopropane-1-carboxamide
CID 7961012
2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 169215788

Frequently Asked Questions

What is the IUPAC name of 6-[2-(tert-butylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of 6-[2-(tert-butylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 145310242) is 6-[2-(tert-butylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for 6-[2-(tert-butylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for 6-[2-(tert-butylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)-6-azaspiro[2.5]octane-2-carboxamide is Cc1cc(C)cc(NC(=O)C2CC23CCN(CC(=O)NC(C)(C)C)CC3)c1.
What is the InChIKey of 6-[2-(tert-butylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is SPJSJEJEFHWXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-15-10-16(2)12-17(11-15)23-20(27)18-13-22(18)6-8-25(9-7-22)14-19(26)24-21(3,4)5/h10-12,18H,6-9,13-14H2,1-5H3,(H,23,27)(H,24,26).
What are the key properties of 6-[2-(tert-butylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)-6-azaspiro[2.5]octane-2-carboxamide?
6-[2-(tert-butylamino)-2-oxoethyl]-N-(3,5-dimethylphenyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 3.26, 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-(3,5-dimethylphenyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 145310242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).