4-[[(3-hydroxycyclobutyl)amino]methyl]-3-methylbenzamide

C13H18N2O2 — CID 114480489

IUPAC4-[[(3-hydroxycyclobutyl)amino]methyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1CNC1CC(O)C1
InChIInChI=1S/C13H18N2O2/c1-8-4-9(13(14)17)2-3-10(8)7-15-11-5-12(16)6-11/h2-4,11-12,15-16H,5-7H2,1H3,(H2,14,17)
InChIKeyYPQJFGAZCIUIDG-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.71
Rot. Bonds4

About 4-[[(3-hydroxycyclobutyl)amino]methyl]-3-methylbenzamide

4-[[(3-hydroxycyclobutyl)amino]methyl]-3-methylbenzamide (PubChem CID 114480489) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-[[(3-hydroxycyclobutyl)amino]methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-[[(3-hydroxycyclobutyl)amino]methyl]-3-methylbenzamide
PubChem CID114480489
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-[[(3-hydroxycyclobutyl)amino]methyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1CNC1CC(O)C1
InChIInChI=1S/C13H18N2O2/c1-8-4-9(13(14)17)2-3-10(8)7-15-11-5-12(16)6-11/h2-4,11-12,15-16H,5-7H2,1H3,(H2,14,17)
InChIKeyYPQJFGAZCIUIDG-UHFFFAOYSA-N
XLogP0.71
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3-ethylcyclohexyl)amino]methyl]-3-methylbenzamide
CID 114480409
4-[[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]methyl]-3-methylbenzamide
CID 114480478
3-methyl-4-[[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]methyl]benzamide
CID 114480476
4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]-3-methylbenzamide
CID 114503397
4-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-3-methylbenzamide
CID 114480105
3-methyl-4-[(propan-2-ylamino)methyl]benzamide
CID 114479524
4-[(2-cyclopropylpropan-2-ylamino)methyl]-3-methylbenzamide
CID 114110930
3-methyl-4-[[(2-methylcyclohexyl)methylamino]methyl]benzamide
CID 114480123
4-(anilinomethyl)-3-methylbenzamide
CID 114479545
4-[[(5-amino-5-oxopentyl)amino]methyl]-3-methylbenzamide
CID 106237505
4-[(3-ethylpentan-3-ylamino)methyl]-3-methylbenzamide
CID 114480428
4-[(2,2-dimethylpropylamino)methyl]-3-methylbenzamide
CID 114479983

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-hydroxycyclobutyl)amino]methyl]-3-methylbenzamide?
The IUPAC name of 4-[[(3-hydroxycyclobutyl)amino]methyl]-3-methylbenzamide (CID 114480489) is 4-[[(3-hydroxycyclobutyl)amino]methyl]-3-methylbenzamide.
What is the SMILES notation for 4-[[(3-hydroxycyclobutyl)amino]methyl]-3-methylbenzamide?
The canonical SMILES for 4-[[(3-hydroxycyclobutyl)amino]methyl]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1CNC1CC(O)C1.
What is the InChIKey of 4-[[(3-hydroxycyclobutyl)amino]methyl]-3-methylbenzamide?
The InChIKey is YPQJFGAZCIUIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8-4-9(13(14)17)2-3-10(8)7-15-11-5-12(16)6-11/h2-4,11-12,15-16H,5-7H2,1H3,(H2,14,17).
What are the key properties of 4-[[(3-hydroxycyclobutyl)amino]methyl]-3-methylbenzamide?
4-[[(3-hydroxycyclobutyl)amino]methyl]-3-methylbenzamide has a molecular weight of 234.30 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-hydroxycyclobutyl)amino]methyl]-3-methylbenzamide is sourced from PubChem (CID 114480489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).