N-[(1-hydroxycyclobutyl)methyl]-2,4-dimethylbenzamide

C14H19NO2 — CID 111445481

IUPACN-[(1-hydroxycyclobutyl)methyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC2(O)CCC2)c(C)c1
InChIInChI=1S/C14H19NO2/c1-10-4-5-12(11(2)8-10)13(16)15-9-14(17)6-3-7-14/h4-5,8,17H,3,6-7,9H2,1-2H3,(H,15,16)
InChIKeyNUOQRAJASMZYAL-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.95
Rot. Bonds3

About N-[(1-hydroxycyclobutyl)methyl]-2,4-dimethylbenzamide

N-[(1-hydroxycyclobutyl)methyl]-2,4-dimethylbenzamide (PubChem CID 111445481) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-2,4-dimethylbenzamide
PubChem CID111445481
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC2(O)CCC2)c(C)c1
InChIInChI=1S/C14H19NO2/c1-10-4-5-12(11(2)8-10)13(16)15-9-14(17)6-3-7-14/h4-5,8,17H,3,6-7,9H2,1-2H3,(H,15,16)
InChIKeyNUOQRAJASMZYAL-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 103863824
4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 103863815
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,4-dimethylbenzamide
CID 114760620
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-4-methylbenzamide
CID 106509758
2-amino-N-[(1-hydroxycyclopentyl)methyl]-5-methylbenzamide
CID 65106081
2-bromo-N-[(1-hydroxycycloheptyl)methyl]-5-methylbenzamide
CID 81003216
N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 22267456
4-[[(2,4-dimethylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 115438197
4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylbenzamide
CID 112702691
N-[(1-hydroxycyclobutyl)methyl]-2-methylfuran-3-carboxamide
CID 111444909
2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 65113571
2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-3-methylbenzamide
CID 80711895

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-2,4-dimethylbenzamide (CID 111445481) is N-[(1-hydroxycyclobutyl)methyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)NCC2(O)CCC2)c(C)c1.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-2,4-dimethylbenzamide?
The InChIKey is NUOQRAJASMZYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-4-5-12(11(2)8-10)13(16)15-9-14(17)6-3-7-14/h4-5,8,17H,3,6-7,9H2,1-2H3,(H,15,16).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-2,4-dimethylbenzamide?
N-[(1-hydroxycyclobutyl)methyl]-2,4-dimethylbenzamide has a molecular weight of 233.31 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 111445481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).