4-[[(1-hydroxycyclobutyl)methylamino]methyl]-3-methylbenzamide

C14H20N2O2 — CID 114480854

IUPAC4-[[(1-hydroxycyclobutyl)methylamino]methyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1CNCC1(O)CCC1
InChIInChI=1S/C14H20N2O2/c1-10-7-11(13(15)17)3-4-12(10)8-16-9-14(18)5-2-6-14/h3-4,7,16,18H,2,5-6,8-9H2,1H3,(H2,15,17)
InChIKeyUSOMRRPZEVQKON-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.10
Rot. Bonds5

About 4-[[(1-hydroxycyclobutyl)methylamino]methyl]-3-methylbenzamide

4-[[(1-hydroxycyclobutyl)methylamino]methyl]-3-methylbenzamide (PubChem CID 114480854) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[[(1-hydroxycyclobutyl)methylamino]methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-[[(1-hydroxycyclobutyl)methylamino]methyl]-3-methylbenzamide
PubChem CID114480854
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-[[(1-hydroxycyclobutyl)methylamino]methyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1CNCC1(O)CCC1
InChIInChI=1S/C14H20N2O2/c1-10-7-11(13(15)17)3-4-12(10)8-16-9-14(18)5-2-6-14/h3-4,7,16,18H,2,5-6,8-9H2,1H3,(H2,15,17)
InChIKeyUSOMRRPZEVQKON-UHFFFAOYSA-N
XLogP1.10
TPSA75.35 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 ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(1-hydroxycyclohexyl)methylamino]methyl]-3-methylbenzamide
CID 114480437
3-methyl-4-[[(2-methylcyclohexyl)methylamino]methyl]benzamide
CID 114480123
4-[(2,2-dimethylpropylamino)methyl]-3-methylbenzamide
CID 114479983
3-methyl-4-[(propan-2-ylamino)methyl]benzamide
CID 114479524
3-methyl-4-[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]benzamide
CID 114480710
4-[[(4-hydroxyphenyl)methylamino]methyl]-3-methylbenzamide
CID 114480871
4-[[(5-amino-5-oxopentyl)amino]methyl]-3-methylbenzamide
CID 106237505
4-[(3-ethylpentan-3-ylamino)methyl]-3-methylbenzamide
CID 114480428
4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3-methylbenzamide
CID 114480433
4-[(5-hydroxypentylamino)methyl]-3-methylbenzamide
CID 107317528
3-methyl-4-[[(5-methylthiophen-2-yl)methylamino]methyl]benzamide
CID 114480189
4-(anilinomethyl)-3-methylbenzamide
CID 114479545

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-hydroxycyclobutyl)methylamino]methyl]-3-methylbenzamide?
The IUPAC name of 4-[[(1-hydroxycyclobutyl)methylamino]methyl]-3-methylbenzamide (CID 114480854) is 4-[[(1-hydroxycyclobutyl)methylamino]methyl]-3-methylbenzamide.
What is the SMILES notation for 4-[[(1-hydroxycyclobutyl)methylamino]methyl]-3-methylbenzamide?
The canonical SMILES for 4-[[(1-hydroxycyclobutyl)methylamino]methyl]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1CNCC1(O)CCC1.
What is the InChIKey of 4-[[(1-hydroxycyclobutyl)methylamino]methyl]-3-methylbenzamide?
The InChIKey is USOMRRPZEVQKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-7-11(13(15)17)3-4-12(10)8-16-9-14(18)5-2-6-14/h3-4,7,16,18H,2,5-6,8-9H2,1H3,(H2,15,17).
What are the key properties of 4-[[(1-hydroxycyclobutyl)methylamino]methyl]-3-methylbenzamide?
4-[[(1-hydroxycyclobutyl)methylamino]methyl]-3-methylbenzamide has a molecular weight of 248.33 g/mol, XLogP of 1.10, 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]-3-methylbenzamide is sourced from PubChem (CID 114480854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).