N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride

C14H29ClN2O2 — CID 119820324

IUPACN-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCCOCCC1(CNC(=O)C(C)CNC)CCC1.Cl
InChIInChI=1S/C14H28N2O2.ClH/c1-4-18-9-8-14(6-5-7-14)11-16-13(17)12(2)10-15-3;/h12,15H,4-11H2,1-3H3,(H,16,17);1H
InChIKeyLSNCCURSVPGKRZ-UHFFFAOYSA-N
MW292.85 g/mol
LogP1.98
Rot. Bonds9

About N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride

N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119820324) has the molecular formula C14H29ClN2O2 and a molecular weight of 292.85 g/mol. Its IUPAC name is N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119820324
Molecular FormulaC14H29ClN2O2
Molecular Weight292.85 g/mol
Exact Mass292.19
IUPAC NameN-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCCOCCC1(CNC(=O)C(C)CNC)CCC1.Cl
InChIInChI=1S/C14H28N2O2.ClH/c1-4-18-9-8-14(6-5-7-14)11-16-13(17)12(2)10-15-3;/h12,15H,4-11H2,1-3H3,(H,16,17);1H
InChIKeyLSNCCURSVPGKRZ-UHFFFAOYSA-N
XLogP1.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 103810906
N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119817819
(2S)-2-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-4-methylpentanamide;hydrochloride
CID 119820348
(2S)-2-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119812179
3-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]butanamide;hydrochloride
CID 119820336
1-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]cyclopropane-1-carboxamide
CID 119820293
1-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]cyclohexane-1-carboxamide
CID 119344511
2-amino-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]propanamide;hydrochloride
CID 119344536
2-(cyclopropylmethylamino)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]acetamide;hydrochloride
CID 119820320
N-[[1-(2-ethoxyethyl)cyclohexyl]methyl]propan-2-amine
CID 62723573
2-amino-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methylpentanamide;hydrochloride
CID 119820346
N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119820344

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (CID 119820324) is N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is CCOCCC1(CNC(=O)C(C)CNC)CCC1.Cl.
What is the InChIKey of N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is LSNCCURSVPGKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2.ClH/c1-4-18-9-8-14(6-5-7-14)11-16-13(17)12(2)10-15-3;/h12,15H,4-11H2,1-3H3,(H,16,17);1H.
What are the key properties of N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 292.85 g/mol, XLogP of 1.98, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119820324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).