2-[2-(tert-butylamino)acetyl]-N-(3-chloro-5-methylphenyl)-2-azaspiro[3.3]heptane-6-carboxamide

C20H28ClN3O2 — CID 169216800

IUPAC2-[2-(tert-butylamino)acetyl]-N-(3-chloro-5-methylphenyl)-2-azaspiro[3.3]heptane-6-carboxamide
SMILESCc1cc(Cl)cc(NC(=O)C2CC3(C2)CN(C(=O)CNC(C)(C)C)C3)c1
InChIInChI=1S/C20H28ClN3O2/c1-13-5-15(21)7-16(6-13)23-18(26)14-8-20(9-14)11-24(12-20)17(25)10-22-19(2,3)4/h5-7,14,22H,8-12H2,1-4H3,(H,23,26)
InChIKeyBTZDMGUMZCTZHD-UHFFFAOYSA-N
MW377.92 g/mol
LogP3.21
Rot. Bonds4

About 2-[2-(tert-butylamino)acetyl]-N-(3-chloro-5-methylphenyl)-2-azaspiro[3.3]heptane-6-carboxamide

2-[2-(tert-butylamino)acetyl]-N-(3-chloro-5-methylphenyl)-2-azaspiro[3.3]heptane-6-carboxamide (PubChem CID 169216800) has the molecular formula C20H28ClN3O2 and a molecular weight of 377.92 g/mol. Its IUPAC name is 2-[2-(tert-butylamino)acetyl]-N-(3-chloro-5-methylphenyl)-2-azaspiro[3.3]heptane-6-carboxamide.

Molecular Properties

Compound Name2-[2-(tert-butylamino)acetyl]-N-(3-chloro-5-methylphenyl)-2-azaspiro[3.3]heptane-6-carboxamide
PubChem CID169216800
Molecular FormulaC20H28ClN3O2
Molecular Weight377.92 g/mol
Exact Mass377.19
IUPAC Name2-[2-(tert-butylamino)acetyl]-N-(3-chloro-5-methylphenyl)-2-azaspiro[3.3]heptane-6-carboxamide
SMILESCc1cc(Cl)cc(NC(=O)C2CC3(C2)CN(C(=O)CNC(C)(C)C)C3)c1
InChIInChI=1S/C20H28ClN3O2/c1-13-5-15(21)7-16(6-13)23-18(26)14-8-20(9-14)11-24(12-20)17(25)10-22-19(2,3)4/h5-7,14,22H,8-12H2,1-4H3,(H,23,26)
InChIKeyBTZDMGUMZCTZHD-UHFFFAOYSA-N
XLogP3.21
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(tert-butylamino)acetyl]-N-(3-chloro-5-methylphenyl)-2-azaspiro[3.3]heptane-6-carboxamide with MolForge

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Related Compounds

N-(3-chloro-5-methylphenyl)-2-[(1-cyanocyclopropyl)methyl]-2-azaspiro[3.5]nonane-7-carboxamide
CID 169216092
N-(3-chloro-5-fluorophenyl)-2-[(4-chlorophenyl)methyl]-2-azaspiro[3.3]heptane-6-carboxamide;ethane
CID 169216805
6-[2-(tert-butylamino)-2-oxoethyl]-N-(3-chloro-5-methylphenyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 163999803
N-(3-chloro-5-fluorophenyl)-2-[(4-chlorophenyl)methyl]-2-azaspiro[3.3]heptane-6-carboxamide
CID 169216806
N-(3-chloro-5-methylphenyl)cyclopent-2-ene-1-carboxamide
CID 142144155
1-[2-(4-chlorophenyl)acetyl]-N-(3,5-dimethylphenyl)piperidine-4-carboxamide
CID 113006490
N-(3-chloro-5-fluorophenyl)-2-[2-(cyclopentylamino)-2-oxoethyl]-2-azaspiro[3.3]heptane-6-carboxamide;ethane
CID 169216766
methyl 4-[(3,5-dichlorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754243
4-N-(3,5-dichlorophenyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 56923410
(1R)-2,2-dichloro-N-(3,5-dimethylphenyl)cyclopropane-1-carboxamide
CID 7961012
2-(3,3-dimethylbutyl)-N-(3-fluoro-5-methylphenyl)-2-azaspiro[3.5]nonane-7-carboxamide
CID 169216210
1-(4-tert-butylbenzoyl)-N-(3,5-dimethylphenyl)piperidine-4-carboxamide
CID 113006485

Frequently Asked Questions

What is the IUPAC name of 2-[2-(tert-butylamino)acetyl]-N-(3-chloro-5-methylphenyl)-2-azaspiro[3.3]heptane-6-carboxamide?
The IUPAC name of 2-[2-(tert-butylamino)acetyl]-N-(3-chloro-5-methylphenyl)-2-azaspiro[3.3]heptane-6-carboxamide (CID 169216800) is 2-[2-(tert-butylamino)acetyl]-N-(3-chloro-5-methylphenyl)-2-azaspiro[3.3]heptane-6-carboxamide.
What is the SMILES notation for 2-[2-(tert-butylamino)acetyl]-N-(3-chloro-5-methylphenyl)-2-azaspiro[3.3]heptane-6-carboxamide?
The canonical SMILES for 2-[2-(tert-butylamino)acetyl]-N-(3-chloro-5-methylphenyl)-2-azaspiro[3.3]heptane-6-carboxamide is Cc1cc(Cl)cc(NC(=O)C2CC3(C2)CN(C(=O)CNC(C)(C)C)C3)c1.
What is the InChIKey of 2-[2-(tert-butylamino)acetyl]-N-(3-chloro-5-methylphenyl)-2-azaspiro[3.3]heptane-6-carboxamide?
The InChIKey is BTZDMGUMZCTZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O2/c1-13-5-15(21)7-16(6-13)23-18(26)14-8-20(9-14)11-24(12-20)17(25)10-22-19(2,3)4/h5-7,14,22H,8-12H2,1-4H3,(H,23,26).
What are the key properties of 2-[2-(tert-butylamino)acetyl]-N-(3-chloro-5-methylphenyl)-2-azaspiro[3.3]heptane-6-carboxamide?
2-[2-(tert-butylamino)acetyl]-N-(3-chloro-5-methylphenyl)-2-azaspiro[3.3]heptane-6-carboxamide has a molecular weight of 377.92 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(tert-butylamino)acetyl]-N-(3-chloro-5-methylphenyl)-2-azaspiro[3.3]heptane-6-carboxamide is sourced from PubChem (CID 169216800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).