3-[[(4-hydroxycyclohexyl)amino]methyl]benzamide

C14H20N2O2 — CID 62998980

IUPAC3-[[(4-hydroxycyclohexyl)amino]methyl]benzamide
SMILESNC(=O)c1cccc(CNC2CCC(O)CC2)c1
InChIInChI=1S/C14H20N2O2/c15-14(18)11-3-1-2-10(8-11)9-16-12-4-6-13(17)7-5-12/h1-3,8,12-13,16-17H,4-7,9H2,(H2,15,18)
InChIKeyZKPFVXPIGNGJOG-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.18
Rot. Bonds4

About 3-[[(4-hydroxycyclohexyl)amino]methyl]benzamide

3-[[(4-hydroxycyclohexyl)amino]methyl]benzamide (PubChem CID 62998980) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[[(4-hydroxycyclohexyl)amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[(4-hydroxycyclohexyl)amino]methyl]benzamide
PubChem CID62998980
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-[[(4-hydroxycyclohexyl)amino]methyl]benzamide
SMILESNC(=O)c1cccc(CNC2CCC(O)CC2)c1
InChIInChI=1S/C14H20N2O2/c15-14(18)11-3-1-2-10(8-11)9-16-12-4-6-13(17)7-5-12/h1-3,8,12-13,16-17H,4-7,9H2,(H2,15,18)
InChIKeyZKPFVXPIGNGJOG-UHFFFAOYSA-N
XLogP1.18
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(thiolan-3-ylamino)methyl]benzamide
CID 43664732
3-[(oxolan-3-ylamino)methyl]benzamide
CID 63332008
3-[[(3-phenylcyclobutyl)amino]methyl]benzamide
CID 43664689
3-[[(3-hydroxycyclopentyl)methylamino]methyl]benzamide
CID 103270759
4-[(3-cyclopropylphenyl)methylamino]cyclohexan-1-ol
CID 79979684
3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzamide
CID 63277160
3-[(carbamoylamino)methyl]benzamide
CID 166184789
3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]benzamide
CID 60977331
3-[[(2-methylcyclopentyl)amino]methyl]benzamide
CID 63277760
3-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]benzamide
CID 78921069
4-[(3-nitrophenyl)methylamino]cyclohexan-1-ol
CID 28615203
3-[[(3-hydroxycyclohexyl)methylamino]methyl]benzamide
CID 103699975

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-hydroxycyclohexyl)amino]methyl]benzamide?
The IUPAC name of 3-[[(4-hydroxycyclohexyl)amino]methyl]benzamide (CID 62998980) is 3-[[(4-hydroxycyclohexyl)amino]methyl]benzamide.
What is the SMILES notation for 3-[[(4-hydroxycyclohexyl)amino]methyl]benzamide?
The canonical SMILES for 3-[[(4-hydroxycyclohexyl)amino]methyl]benzamide is NC(=O)c1cccc(CNC2CCC(O)CC2)c1.
What is the InChIKey of 3-[[(4-hydroxycyclohexyl)amino]methyl]benzamide?
The InChIKey is ZKPFVXPIGNGJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-14(18)11-3-1-2-10(8-11)9-16-12-4-6-13(17)7-5-12/h1-3,8,12-13,16-17H,4-7,9H2,(H2,15,18).
What are the key properties of 3-[[(4-hydroxycyclohexyl)amino]methyl]benzamide?
3-[[(4-hydroxycyclohexyl)amino]methyl]benzamide has a molecular weight of 248.33 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-hydroxycyclohexyl)amino]methyl]benzamide is sourced from PubChem (CID 62998980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).