4-[[(1-hydroxycyclobutyl)methylamino]methyl]-N-methylbenzamide

C14H20N2O2 — CID 111114516

IUPAC4-[[(1-hydroxycyclobutyl)methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNCC2(O)CCC2)cc1
InChIInChI=1S/C14H20N2O2/c1-15-13(17)12-5-3-11(4-6-12)9-16-10-14(18)7-2-8-14/h3-6,16,18H,2,7-10H2,1H3,(H,15,17)
InChIKeyAXLJVIXWCVEBDO-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.05
Rot. Bonds5

About 4-[[(1-hydroxycyclobutyl)methylamino]methyl]-N-methylbenzamide

4-[[(1-hydroxycyclobutyl)methylamino]methyl]-N-methylbenzamide (PubChem CID 111114516) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[[(1-hydroxycyclobutyl)methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[(1-hydroxycyclobutyl)methylamino]methyl]-N-methylbenzamide
PubChem CID111114516
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-[[(1-hydroxycyclobutyl)methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNCC2(O)CCC2)cc1
InChIInChI=1S/C14H20N2O2/c1-15-13(17)12-5-3-11(4-6-12)9-16-10-14(18)7-2-8-14/h3-6,16,18H,2,7-10H2,1H3,(H,15,17)
InChIKeyAXLJVIXWCVEBDO-UHFFFAOYSA-N
XLogP1.05
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-N-methylbenzamide
CID 114750159
N-[4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenyl]acetamide
CID 62865493
1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 111114566
1-[[(4-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 63931646
1-[[(4-trimethylsilylphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103437869
4-[[[1-(aminomethyl)cyclopropanecarbonyl]amino]methyl]-N-methylbenzamide
CID 115453093
1-[[(4-phenylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 115621532
1-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 17442249
1-[[(4-aminophenyl)methylamino]methyl]cyclohexan-1-ol
CID 126846834
N'-hydroxy-4-[[(1-hydroxycyclohexyl)methylamino]methyl]benzenecarboximidamide
CID 77056304
4-[[(1-aminocyclohexanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride
CID 119283610
1-[(benzylamino)methyl]cycloheptan-1-ol
CID 60710694

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-hydroxycyclobutyl)methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[(1-hydroxycyclobutyl)methylamino]methyl]-N-methylbenzamide (CID 111114516) is 4-[[(1-hydroxycyclobutyl)methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[(1-hydroxycyclobutyl)methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[(1-hydroxycyclobutyl)methylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CNCC2(O)CCC2)cc1.
What is the InChIKey of 4-[[(1-hydroxycyclobutyl)methylamino]methyl]-N-methylbenzamide?
The InChIKey is AXLJVIXWCVEBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-15-13(17)12-5-3-11(4-6-12)9-16-10-14(18)7-2-8-14/h3-6,16,18H,2,7-10H2,1H3,(H,15,17).
What are the key properties of 4-[[(1-hydroxycyclobutyl)methylamino]methyl]-N-methylbenzamide?
4-[[(1-hydroxycyclobutyl)methylamino]methyl]-N-methylbenzamide has a molecular weight of 248.33 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-hydroxycyclobutyl)methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 111114516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).