N-(2,5-dimethylphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide

C15H21NO2 — CID 115183981

IUPACN-(2,5-dimethylphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide
SMILESCc1ccc(C)c(N(C)C(=O)C2(CO)CCC2)c1
InChIInChI=1S/C15H21NO2/c1-11-5-6-12(2)13(9-11)16(3)14(18)15(10-17)7-4-8-15/h5-6,9,17H,4,7-8,10H2,1-3H3
InChIKeyMMYAWQPIRASKRW-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.43
Rot. Bonds3

About N-(2,5-dimethylphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide

N-(2,5-dimethylphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide (PubChem CID 115183981) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide
PubChem CID115183981
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(2,5-dimethylphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide
SMILESCc1ccc(C)c(N(C)C(=O)C2(CO)CCC2)c1
InChIInChI=1S/C15H21NO2/c1-11-5-6-12(2)13(9-11)16(3)14(18)15(10-17)7-4-8-15/h5-6,9,17H,4,7-8,10H2,1-3H3
InChIKeyMMYAWQPIRASKRW-UHFFFAOYSA-N
XLogP2.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dimethylphenyl)-N-methyl-1-(methylaminomethyl)cyclobutane-1-carboxamide
CID 115183661
1-[(2,5-dimethylphenyl)-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 115181848
N-(2,4-difluorophenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide
CID 115184003
1-(hydroxymethyl)-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 115182186
1-(aminomethyl)-N-methyl-N-(2-methylphenyl)cyclobutane-1-carboxamide
CID 80587931
1-[(2,4-dimethylphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62097338
methyl 1-[(N,2,5-trimethylanilino)methyl]cyclopropane-1-carboxylate
CID 115247483
1-(hydroxymethyl)-N-methyl-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide
CID 115183979
1-(hydroxymethyl)-N-(4-methoxyphenyl)-N-methylcyclobutane-1-carboxamide
CID 115183985
1-(hydroxymethyl)-N-methyl-N-thiophen-2-ylcyclobutane-1-carboxamide
CID 115183976
1-(hydroxymethyl)-N-methyl-N-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 115182201
1-[(N,2,4-trimethylanilino)methyl]cyclohexane-1-carboxylic acid
CID 63495824

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide (CID 115183981) is N-(2,5-dimethylphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide is Cc1ccc(C)c(N(C)C(=O)C2(CO)CCC2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide?
The InChIKey is MMYAWQPIRASKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-5-6-12(2)13(9-11)16(3)14(18)15(10-17)7-4-8-15/h5-6,9,17H,4,7-8,10H2,1-3H3.
What are the key properties of N-(2,5-dimethylphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide?
N-(2,5-dimethylphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 115183981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).