(2S)-N-[(1R,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide

C17H30N2O2 — CID 125118445

IUPAC(2S)-N-[(1R,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide
SMILESCCO[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CC23CCNCC3)C1(C)C
InChIInChI=1S/C17H30N2O2/c1-5-21-14-10-13(16(14,2)3)19(4)15(20)12-11-17(12)6-8-18-9-7-17/h12-14,18H,5-11H2,1-4H3/t12-,13-,14-/m1/s1
InChIKeyCHHGJWKPWVVTJR-MGPQQGTHSA-N
MW294.44 g/mol
LogP2.04
Rot. Bonds4

About (2S)-N-[(1R,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide

(2S)-N-[(1R,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 125118445) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is (2S)-N-[(1R,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1R,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID125118445
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name(2S)-N-[(1R,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide
SMILESCCO[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CC23CCNCC3)C1(C)C
InChIInChI=1S/C17H30N2O2/c1-5-21-14-10-13(16(14,2)3)19(4)15(20)12-11-17(12)6-8-18-9-7-17/h12-14,18H,5-11H2,1-4H3/t12-,13-,14-/m1/s1
InChIKeyCHHGJWKPWVVTJR-MGPQQGTHSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[(1R,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide with MolForge

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Related Compounds

N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-3-piperidin-4-ylpropanamide
CID 124683923
2-cyclopentyl-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylacetamide
CID 102557925
3-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride
CID 119799255
N-(2-methylpropyl)-N-pentan-3-yl-6-azaspiro[2.5]octane-2-carboxamide
CID 79491626
(2S)-N-[(3R,4S)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide
CID 125118489
N-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119818533
N-[(1R,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 124683338
5-[[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-methylcarbamoyl]thiophene-2-carboxylic acid
CID 124683947
5-[[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-methylcarbamoyl]thiophene-2-carboxylic acid
CID 124683245
N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylpiperidine-3-carboxamide
CID 119335023
(2S,4S)-N-(3-butoxy-2,2-dimethylcyclobutyl)-N,2-dimethylpiperidine-4-carboxamide
CID 120638197
N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 71874470

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2S)-N-[(1R,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide (CID 125118445) is (2S)-N-[(1R,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1R,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2S)-N-[(1R,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide is CCO[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CC23CCNCC3)C1(C)C.
What is the InChIKey of (2S)-N-[(1R,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is CHHGJWKPWVVTJR-MGPQQGTHSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-5-21-14-10-13(16(14,2)3)19(4)15(20)12-11-17(12)6-8-18-9-7-17/h12-14,18H,5-11H2,1-4H3/t12-,13-,14-/m1/s1.
What are the key properties of (2S)-N-[(1R,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide?
(2S)-N-[(1R,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 294.44 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 125118445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).