N-methyl-N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide

C16H22N2O — CID 110753175

IUPACN-methyl-N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
SMILESCN(C(=O)C1CCC1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C16H22N2O/c1-17(16(19)13-5-4-6-13)14-7-9-15(10-8-14)18-11-2-3-12-18/h7-10,13H,2-6,11-12H2,1H3
InChIKeyJRUHXBLALRAGBP-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.05
Rot. Bonds3

About N-methyl-N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide

N-methyl-N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide (PubChem CID 110753175) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-methyl-N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
PubChem CID110753175
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-methyl-N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
SMILESCN(C(=O)C1CCC1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C16H22N2O/c1-17(16(19)13-5-4-6-13)14-7-9-15(10-8-14)18-11-2-3-12-18/h7-10,13H,2-6,11-12H2,1H3
InChIKeyJRUHXBLALRAGBP-UHFFFAOYSA-N
XLogP3.05
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(4-methylphenyl)cyclohexanecarboxamide
CID 142999335
N-[4-[acetyl(methyl)amino]phenyl]-N-methylcyclohexanecarboxamide
CID 113094811
N-(4-acetamidophenyl)-N-methylcyclobutanecarboxamide
CID 113095001
N-methyl-N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 60621992
1-N,4-N-bis(3,4-difluorophenyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 167980780
N-(4-carbamothioylphenyl)-N-methylcyclohexanecarboxamide
CID 62971005
N-(4-acetamidophenyl)-N-methylcyclohexanecarboxamide
CID 113094937
N-(4-carbamothioylphenyl)-N-methylcycloheptanecarboxamide
CID 62969973
cyclohexyl-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone
CID 113078713
3-[methyl-(4-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120550889
4-[methyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55237916
N-(4-tert-butylphenyl)-N-methylcyclopropanecarboxamide
CID 69029843

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide?
The IUPAC name of N-methyl-N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide (CID 110753175) is N-methyl-N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide.
What is the SMILES notation for N-methyl-N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide?
The canonical SMILES for N-methyl-N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide is CN(C(=O)C1CCC1)c1ccc(N2CCCC2)cc1.
What is the InChIKey of N-methyl-N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide?
The InChIKey is JRUHXBLALRAGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-17(16(19)13-5-4-6-13)14-7-9-15(10-8-14)18-11-2-3-12-18/h7-10,13H,2-6,11-12H2,1H3.
What are the key properties of N-methyl-N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide?
N-methyl-N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide has a molecular weight of 258.36 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide is sourced from PubChem (CID 110753175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).