3-[[(3-hydroxycyclohexyl)methylamino]methyl]benzamide

C15H22N2O2 — CID 103699975

IUPAC3-[[(3-hydroxycyclohexyl)methylamino]methyl]benzamide
SMILESNC(=O)c1cccc(CNCC2CCCC(O)C2)c1
InChIInChI=1S/C15H22N2O2/c16-15(19)13-5-1-3-11(7-13)9-17-10-12-4-2-6-14(18)8-12/h1,3,5,7,12,14,17-18H,2,4,6,8-10H2,(H2,16,19)
InChIKeyBAPIIXNUBAHLBA-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.43
Rot. Bonds5

About 3-[[(3-hydroxycyclohexyl)methylamino]methyl]benzamide

3-[[(3-hydroxycyclohexyl)methylamino]methyl]benzamide (PubChem CID 103699975) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-[[(3-hydroxycyclohexyl)methylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[(3-hydroxycyclohexyl)methylamino]methyl]benzamide
PubChem CID103699975
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-[[(3-hydroxycyclohexyl)methylamino]methyl]benzamide
SMILESNC(=O)c1cccc(CNCC2CCCC(O)C2)c1
InChIInChI=1S/C15H22N2O2/c16-15(19)13-5-1-3-11(7-13)9-17-10-12-4-2-6-14(18)8-12/h1,3,5,7,12,14,17-18H,2,4,6,8-10H2,(H2,16,19)
InChIKeyBAPIIXNUBAHLBA-UHFFFAOYSA-N
XLogP1.43
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(3-hydroxycyclopentyl)methylamino]methyl]benzamide
CID 103270759
3-[(piperidin-3-ylmethylamino)methyl]benzamide
CID 80553685
N'-hydroxy-3-[[(3-hydroxycyclopentyl)methylamino]methyl]benzenecarboximidamide
CID 106136286
3-[(thiolan-3-ylmethylamino)methyl]benzamide
CID 107131427
3-[[(1,1-dioxothiolan-3-yl)methylamino]methyl]benzamide
CID 55026135
3-(chloromethyl)-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 106127994
3-amino-4-[(3-hydroxycyclohexyl)methylamino]benzamide
CID 106119994
3-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]benzamide;hydrochloride
CID 120961894
3-[[(4-hydroxycyclohexyl)amino]methyl]benzamide
CID 62998980
3-[[(3-methylphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270659
3-[[(4-iodophenyl)methylamino]methyl]cyclohexan-1-ol
CID 106132031
3-[[(4-chlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699808

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-hydroxycyclohexyl)methylamino]methyl]benzamide?
The IUPAC name of 3-[[(3-hydroxycyclohexyl)methylamino]methyl]benzamide (CID 103699975) is 3-[[(3-hydroxycyclohexyl)methylamino]methyl]benzamide.
What is the SMILES notation for 3-[[(3-hydroxycyclohexyl)methylamino]methyl]benzamide?
The canonical SMILES for 3-[[(3-hydroxycyclohexyl)methylamino]methyl]benzamide is NC(=O)c1cccc(CNCC2CCCC(O)C2)c1.
What is the InChIKey of 3-[[(3-hydroxycyclohexyl)methylamino]methyl]benzamide?
The InChIKey is BAPIIXNUBAHLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-15(19)13-5-1-3-11(7-13)9-17-10-12-4-2-6-14(18)8-12/h1,3,5,7,12,14,17-18H,2,4,6,8-10H2,(H2,16,19).
What are the key properties of 3-[[(3-hydroxycyclohexyl)methylamino]methyl]benzamide?
3-[[(3-hydroxycyclohexyl)methylamino]methyl]benzamide has a molecular weight of 262.35 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-hydroxycyclohexyl)methylamino]methyl]benzamide is sourced from PubChem (CID 103699975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).