N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide;hydrochloride

C14H27ClN2O2 — CID 119820344

IUPACN-[[1-(2-ethoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCCOCCC1(CNC(=O)C2CCNC2)CCC1.Cl
InChIInChI=1S/C14H26N2O2.ClH/c1-2-18-9-7-14(5-3-6-14)11-16-13(17)12-4-8-15-10-12;/h12,15H,2-11H2,1H3,(H,16,17);1H
InChIKeyVRJDMBRTMWMBDE-UHFFFAOYSA-N
MW290.84 g/mol
LogP1.73
Rot. Bonds7

About N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide;hydrochloride

N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119820344) has the molecular formula C14H27ClN2O2 and a molecular weight of 290.84 g/mol. Its IUPAC name is N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(2-ethoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119820344
Molecular FormulaC14H27ClN2O2
Molecular Weight290.84 g/mol
Exact Mass290.18
IUPAC NameN-[[1-(2-ethoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCCOCCC1(CNC(=O)C2CCNC2)CCC1.Cl
InChIInChI=1S/C14H26N2O2.ClH/c1-2-18-9-7-14(5-3-6-14)11-16-13(17)12-4-8-15-10-12;/h12,15H,2-11H2,1H3,(H,16,17);1H
InChIKeyVRJDMBRTMWMBDE-UHFFFAOYSA-N
XLogP1.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.84
LogP ≤ 51.73
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-(2-ethoxyethyl)cyclopentyl]methyl]piperidine-3-carboxamide
CID 119339952
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide
CID 119820405
N-[(1-ethylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119782174
(2S,4S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120638797
N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidine-3-carboxamide
CID 112701948
N-[(1-ethylcyclopentyl)methyl]piperidine-3-carboxamide
CID 103797871
9-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992642
2-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977017
(2S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide
CID 97100966
2-(cyclopropylmethylamino)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]acetamide;hydrochloride
CID 119820320
N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3-piperidin-4-ylbutanamide
CID 119812192
(3S)-N-[(1-methylcyclopropyl)methyl]pyrrolidine-3-carboxamide
CID 131134696

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119820344) is N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide;hydrochloride is CCOCCC1(CNC(=O)C2CCNC2)CCC1.Cl.
What is the InChIKey of N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is VRJDMBRTMWMBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2.ClH/c1-2-18-9-7-14(5-3-6-14)11-16-13(17)12-4-8-15-10-12;/h12,15H,2-11H2,1H3,(H,16,17);1H.
What are the key properties of N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 290.84 g/mol, XLogP of 1.73, 7 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]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119820344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).