N-[[4-(hydroxymethyl)phenyl]methyl]cyclobutanecarboxamide

C13H17NO2 — CID 107231476

IUPACN-[[4-(hydroxymethyl)phenyl]methyl]cyclobutanecarboxamide
SMILESO=C(NCc1ccc(CO)cc1)C1CCC1
InChIInChI=1S/C13H17NO2/c15-9-11-6-4-10(5-7-11)8-14-13(16)12-2-1-3-12/h4-7,12,15H,1-3,8-9H2,(H,14,16)
InChIKeyYZUABMNUTOJUPR-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.60
Rot. Bonds4

About N-[[4-(hydroxymethyl)phenyl]methyl]cyclobutanecarboxamide

N-[[4-(hydroxymethyl)phenyl]methyl]cyclobutanecarboxamide (PubChem CID 107231476) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-[[4-(hydroxymethyl)phenyl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[4-(hydroxymethyl)phenyl]methyl]cyclobutanecarboxamide
PubChem CID107231476
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-[[4-(hydroxymethyl)phenyl]methyl]cyclobutanecarboxamide
SMILESO=C(NCc1ccc(CO)cc1)C1CCC1
InChIInChI=1S/C13H17NO2/c15-9-11-6-4-10(5-7-11)8-14-13(16)12-2-1-3-12/h4-7,12,15H,1-3,8-9H2,(H,14,16)
InChIKeyYZUABMNUTOJUPR-UHFFFAOYSA-N
XLogP1.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzylcyclobutanecarboxamide
CID 730128
N-benzylcyclopentanecarboxamide
CID 835634
N-[[4-(hydroxymethyl)phenyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 107231377
N-[4-(hydroxymethyl)phenyl]cyclobutanecarboxamide
CID 64792635
N-[(4-ethylsulfanylphenyl)methyl]cyclobutanecarboxamide
CID 110784564
N-[[4-(2-aminoethyl)phenyl]methyl]cyclooctanecarboxamide
CID 65022816
N-[(4-carbamothioylphenyl)methyl]cyclooctanecarboxamide
CID 65018764
N-[(4-sulfamoylphenyl)methyl]cycloheptanecarboxamide
CID 10470657
N-[(3,4-difluorophenyl)methyl]cyclopentanecarboxamide
CID 110781018
N-[[4-(diethylsulfamoyl)phenyl]methyl]cyclobutanecarboxamide
CID 8820497
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide
CID 18119554
trans-(1S,3S)-3-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552917

Frequently Asked Questions

What is the IUPAC name of N-[[4-(hydroxymethyl)phenyl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[4-(hydroxymethyl)phenyl]methyl]cyclobutanecarboxamide (CID 107231476) is N-[[4-(hydroxymethyl)phenyl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[4-(hydroxymethyl)phenyl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[4-(hydroxymethyl)phenyl]methyl]cyclobutanecarboxamide is O=C(NCc1ccc(CO)cc1)C1CCC1.
What is the InChIKey of N-[[4-(hydroxymethyl)phenyl]methyl]cyclobutanecarboxamide?
The InChIKey is YZUABMNUTOJUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-9-11-6-4-10(5-7-11)8-14-13(16)12-2-1-3-12/h4-7,12,15H,1-3,8-9H2,(H,14,16).
What are the key properties of N-[[4-(hydroxymethyl)phenyl]methyl]cyclobutanecarboxamide?
N-[[4-(hydroxymethyl)phenyl]methyl]cyclobutanecarboxamide has a molecular weight of 219.28 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(hydroxymethyl)phenyl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 107231476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).