1-(hydroxymethyl)-N-methyl-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide

C16H23NO2 — CID 115183979

IUPAC1-(hydroxymethyl)-N-methyl-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide
SMILESCC(C)c1ccc(N(C)C(=O)C2(CO)CCC2)cc1
InChIInChI=1S/C16H23NO2/c1-12(2)13-5-7-14(8-6-13)17(3)15(19)16(11-18)9-4-10-16/h5-8,12,18H,4,9-11H2,1-3H3
InChIKeyHTWVABWDXCVQTN-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.94
Rot. Bonds4

About 1-(hydroxymethyl)-N-methyl-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide

1-(hydroxymethyl)-N-methyl-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide (PubChem CID 115183979) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(hydroxymethyl)-N-methyl-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(hydroxymethyl)-N-methyl-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide
PubChem CID115183979
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(hydroxymethyl)-N-methyl-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide
SMILESCC(C)c1ccc(N(C)C(=O)C2(CO)CCC2)cc1
InChIInChI=1S/C16H23NO2/c1-12(2)13-5-7-14(8-6-13)17(3)15(19)16(11-18)9-4-10-16/h5-8,12,18H,4,9-11H2,1-3H3
InChIKeyHTWVABWDXCVQTN-UHFFFAOYSA-N
XLogP2.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(hydroxymethyl)-N-(4-methoxyphenyl)-N-methylcyclobutane-1-carboxamide
CID 115183985
4-(methoxymethyl)-N-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 120636712
1-(hydroxymethyl)-N-[(4-propan-2-ylphenyl)methyl]cyclobutane-1-carboxamide
CID 115184042
4-[[1-(aminomethyl)cyclobutanecarbonyl]-methylamino]benzoic acid
CID 104698752
N-(3-fluoro-4-methoxyphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide
CID 115183989
1-(hydroxymethyl)-N-methyl-N-thiophen-2-ylcyclobutane-1-carboxamide
CID 115183976
N-(2,5-dimethylphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide
CID 115183981
2-[methyl-(4-propan-2-ylphenyl)carbamoyl]butanoic acid
CID 115185890
N-methyl-N-(4-propan-2-ylphenyl)carbamoyl chloride
CID 115194451
N-methyl-N-(4-propan-2-ylphenyl)-2-sulfanylacetamide
CID 115166992
1-(hydroxymethyl)-N-methyl-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 115183973
1-(aminomethyl)-N-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide
CID 115182580

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-N-methyl-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(hydroxymethyl)-N-methyl-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide (CID 115183979) is 1-(hydroxymethyl)-N-methyl-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(hydroxymethyl)-N-methyl-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(hydroxymethyl)-N-methyl-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide is CC(C)c1ccc(N(C)C(=O)C2(CO)CCC2)cc1.
What is the InChIKey of 1-(hydroxymethyl)-N-methyl-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide?
The InChIKey is HTWVABWDXCVQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(2)13-5-7-14(8-6-13)17(3)15(19)16(11-18)9-4-10-16/h5-8,12,18H,4,9-11H2,1-3H3.
What are the key properties of 1-(hydroxymethyl)-N-methyl-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide?
1-(hydroxymethyl)-N-methyl-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-N-methyl-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 115183979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).