N-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylpyrrolidine-3-carboxamide;hydrochloride

C16H31ClN2O2 — CID 119818533

IUPACN-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESCCCCOC1CC(N(C)C(=O)C2CCNC2)C1(C)C.Cl
InChIInChI=1S/C16H30N2O2.ClH/c1-5-6-9-20-14-10-13(16(14,2)3)18(4)15(19)12-7-8-17-11-12;/h12-14,17H,5-11H2,1-4H3;1H
InChIKeyNZSISPDXVBZFBF-UHFFFAOYSA-N
MW318.89 g/mol
LogP2.46
Rot. Bonds6

About N-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylpyrrolidine-3-carboxamide;hydrochloride

N-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119818533) has the molecular formula C16H31ClN2O2 and a molecular weight of 318.89 g/mol. Its IUPAC name is N-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID119818533
Molecular FormulaC16H31ClN2O2
Molecular Weight318.89 g/mol
Exact Mass318.21
IUPAC NameN-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESCCCCOC1CC(N(C)C(=O)C2CCNC2)C1(C)C.Cl
InChIInChI=1S/C16H30N2O2.ClH/c1-5-6-9-20-14-10-13(16(14,2)3)18(4)15(19)12-7-8-17-11-12;/h12-14,17H,5-11H2,1-4H3;1H
InChIKeyNZSISPDXVBZFBF-UHFFFAOYSA-N
XLogP2.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.89
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,4S)-N-(3-butoxy-2,2-dimethylcyclobutyl)-N,2-dimethylpiperidine-4-carboxamide
CID 120638197
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylacetamide;hydrochloride
CID 119818521
4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride
CID 119343546
N-(3-butoxy-2,2-dimethylcyclobutyl)piperidine-3-carboxamide;hydrochloride
CID 119343920
N-(3-ethoxyspiro[3.5]nonan-1-yl)-N-methylpiperidine-3-carboxamide
CID 119335023
(3R)-N-cyclopropyl-N-methylpyrrolidine-3-carboxamide
CID 94915741
N,N-dipentylpyrrolidine-3-carboxamide
CID 63005585
N-[(1R,3S)-3-butoxy-2,2-dimethylcyclobutyl]-4-cyano-N-methylpyridine-2-carboxamide
CID 124877465
N-[(1S,3S)-3-butoxy-2,2-dimethylcyclobutyl]-4-cyano-N-methylpyridine-2-carboxamide
CID 124877466
N-[(1S,3R)-3-butoxy-2,2-dimethylcyclobutyl]-4-cyano-N-methylpyridine-2-carboxamide
CID 124877468
N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-3-piperidin-4-ylpropanamide
CID 124683923
N-butyl-N-cyclopropylpyrrolidine-3-carboxamide
CID 63005582

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylpyrrolidine-3-carboxamide;hydrochloride (CID 119818533) is N-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylpyrrolidine-3-carboxamide;hydrochloride is CCCCOC1CC(N(C)C(=O)C2CCNC2)C1(C)C.Cl.
What is the InChIKey of N-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is NZSISPDXVBZFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2.ClH/c1-5-6-9-20-14-10-13(16(14,2)3)18(4)15(19)12-7-8-17-11-12;/h12-14,17H,5-11H2,1-4H3;1H.
What are the key properties of N-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylpyrrolidine-3-carboxamide;hydrochloride?
N-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 318.89 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxy-2,2-dimethylcyclobutyl)-N-methylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119818533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).