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

C16H23NO2 — CID 115184042

IUPAC1-(hydroxymethyl)-N-[(4-propan-2-ylphenyl)methyl]cyclobutane-1-carboxamide
SMILESCC(C)c1ccc(CNC(=O)C2(CO)CCC2)cc1
InChIInChI=1S/C16H23NO2/c1-12(2)14-6-4-13(5-7-14)10-17-15(19)16(11-18)8-3-9-16/h4-7,12,18H,3,8-11H2,1-2H3,(H,17,19)
InChIKeyDYBCWPTYIGBAFJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.59
Rot. Bonds5

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

1-(hydroxymethyl)-N-[(4-propan-2-ylphenyl)methyl]cyclobutane-1-carboxamide (PubChem CID 115184042) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(hydroxymethyl)-N-[(4-propan-2-ylphenyl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(hydroxymethyl)-N-[(4-propan-2-ylphenyl)methyl]cyclobutane-1-carboxamide
PubChem CID115184042
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(hydroxymethyl)-N-[(4-propan-2-ylphenyl)methyl]cyclobutane-1-carboxamide
SMILESCC(C)c1ccc(CNC(=O)C2(CO)CCC2)cc1
InChIInChI=1S/C16H23NO2/c1-12(2)14-6-4-13(5-7-14)10-17-15(19)16(11-18)8-3-9-16/h4-7,12,18H,3,8-11H2,1-2H3,(H,17,19)
InChIKeyDYBCWPTYIGBAFJ-UHFFFAOYSA-N
XLogP2.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(hydroxymethyl)-N-[(4-propylphenyl)methyl]cyclobutane-1-carboxamide
CID 115184056
1-(hydroxymethyl)-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide
CID 115184071
N-[(4-propan-2-ylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63142507
N-[(3-bromophenyl)methyl]-1-(hydroxymethyl)cyclobutane-1-carboxamide
CID 115184081
1-(aminomethyl)-N-[(4-chlorophenyl)methyl]cyclobutane-1-carboxamide
CID 113311558
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 59487519
N-[(4-propan-2-ylphenyl)methyl]carbamoyl chloride
CID 115194584
1-(hydroxymethyl)-N-methyl-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide
CID 115183979
1-(hydroxymethyl)-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopropane-1-carboxamide
CID 115182209
N-[[4-(bromomethyl)phenyl]methyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 107233782
4-methoxy-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 119716391
2-methyl-2-[(4-propan-2-ylphenyl)methylcarbamoylamino]propanoic acid
CID 43089477

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-N-[(4-propan-2-ylphenyl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(hydroxymethyl)-N-[(4-propan-2-ylphenyl)methyl]cyclobutane-1-carboxamide (CID 115184042) is 1-(hydroxymethyl)-N-[(4-propan-2-ylphenyl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(hydroxymethyl)-N-[(4-propan-2-ylphenyl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(hydroxymethyl)-N-[(4-propan-2-ylphenyl)methyl]cyclobutane-1-carboxamide is CC(C)c1ccc(CNC(=O)C2(CO)CCC2)cc1.
What is the InChIKey of 1-(hydroxymethyl)-N-[(4-propan-2-ylphenyl)methyl]cyclobutane-1-carboxamide?
The InChIKey is DYBCWPTYIGBAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(2)14-6-4-13(5-7-14)10-17-15(19)16(11-18)8-3-9-16/h4-7,12,18H,3,8-11H2,1-2H3,(H,17,19).
What are the key properties of 1-(hydroxymethyl)-N-[(4-propan-2-ylphenyl)methyl]cyclobutane-1-carboxamide?
1-(hydroxymethyl)-N-[(4-propan-2-ylphenyl)methyl]cyclobutane-1-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-N-[(4-propan-2-ylphenyl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 115184042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).