2-amino-N-[(1S,3R)-3-ethoxy-2,2-diethylcyclobutyl]-N-methylacetamide

C13H26N2O2 — CID 99592433

IUPAC2-amino-N-[(1S,3R)-3-ethoxy-2,2-diethylcyclobutyl]-N-methylacetamide
SMILESCCO[C@@H]1C[C@H](N(C)C(=O)CN)C1(CC)CC
InChIInChI=1S/C13H26N2O2/c1-5-13(6-2)10(8-11(13)17-7-3)15(4)12(16)9-14/h10-11H,5-9,14H2,1-4H3/t10-,11+/m0/s1
InChIKeyQCKOSMDSLSCDIY-WDEREUQCSA-N
MW242.36 g/mol
LogP1.39
Rot. Bonds6

About 2-amino-N-[(1S,3R)-3-ethoxy-2,2-diethylcyclobutyl]-N-methylacetamide

2-amino-N-[(1S,3R)-3-ethoxy-2,2-diethylcyclobutyl]-N-methylacetamide (PubChem CID 99592433) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-amino-N-[(1S,3R)-3-ethoxy-2,2-diethylcyclobutyl]-N-methylacetamide.

Molecular Properties

Compound Name2-amino-N-[(1S,3R)-3-ethoxy-2,2-diethylcyclobutyl]-N-methylacetamide
PubChem CID99592433
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-amino-N-[(1S,3R)-3-ethoxy-2,2-diethylcyclobutyl]-N-methylacetamide
SMILESCCO[C@@H]1C[C@H](N(C)C(=O)CN)C1(CC)CC
InChIInChI=1S/C13H26N2O2/c1-5-13(6-2)10(8-11(13)17-7-3)15(4)12(16)9-14/h10-11H,5-9,14H2,1-4H3/t10-,11+/m0/s1
InChIKeyQCKOSMDSLSCDIY-WDEREUQCSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(1R,3R)-3-ethoxy-2,2-diethylcyclobutyl]-N-methylacetamide
CID 99592428
2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylacetamide
CID 119335015
4-(aminomethyl)-N-(3-ethoxy-2,2-diethylcyclobutyl)-N-methylbenzamide;hydrochloride
CID 119344435
N-(3-ethoxy-2,2-diethylcyclobutyl)-N,2-dimethylpyrimidine-4-carboxamide
CID 71975447
N-[(1R,3S)-3-ethoxy-2,2-diethylcyclobutyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide
CID 96569694
(2S)-2-amino-N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-N-methylpropanamide
CID 100598355
3-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride
CID 119799255
3-[[(3-ethoxy-2,2-diethylcyclobutyl)-methylamino]methyl]benzoic acid
CID 122029387
3-ethoxy-2,2-diethylcyclobutan-1-ol
CID 64569995
4-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylbutanamide;hydrochloride
CID 119335024
2-cyclopentyl-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylacetamide
CID 102557925
7-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylheptanamide;hydrochloride
CID 119803589

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S,3R)-3-ethoxy-2,2-diethylcyclobutyl]-N-methylacetamide?
The IUPAC name of 2-amino-N-[(1S,3R)-3-ethoxy-2,2-diethylcyclobutyl]-N-methylacetamide (CID 99592433) is 2-amino-N-[(1S,3R)-3-ethoxy-2,2-diethylcyclobutyl]-N-methylacetamide.
What is the SMILES notation for 2-amino-N-[(1S,3R)-3-ethoxy-2,2-diethylcyclobutyl]-N-methylacetamide?
The canonical SMILES for 2-amino-N-[(1S,3R)-3-ethoxy-2,2-diethylcyclobutyl]-N-methylacetamide is CCO[C@@H]1C[C@H](N(C)C(=O)CN)C1(CC)CC.
What is the InChIKey of 2-amino-N-[(1S,3R)-3-ethoxy-2,2-diethylcyclobutyl]-N-methylacetamide?
The InChIKey is QCKOSMDSLSCDIY-WDEREUQCSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-13(6-2)10(8-11(13)17-7-3)15(4)12(16)9-14/h10-11H,5-9,14H2,1-4H3/t10-,11+/m0/s1.
What are the key properties of 2-amino-N-[(1S,3R)-3-ethoxy-2,2-diethylcyclobutyl]-N-methylacetamide?
2-amino-N-[(1S,3R)-3-ethoxy-2,2-diethylcyclobutyl]-N-methylacetamide has a molecular weight of 242.36 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S,3R)-3-ethoxy-2,2-diethylcyclobutyl]-N-methylacetamide is sourced from PubChem (CID 99592433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).