3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]benzamide

C16H24N2O2 — CID 11521945

IUPAC3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]benzamide
SMILESCN(C)C[C@H]1CCCC[C@]1(O)c1cccc(C(N)=O)c1
InChIInChI=1S/C16H24N2O2/c1-18(2)11-14-7-3-4-9-16(14,20)13-8-5-6-12(10-13)15(17)19/h5-6,8,10,14,20H,3-4,7,9,11H2,1-2H3,(H2,17,19)/t14-,16+/m1/s1
InChIKeyHMYGNTXDYGVULQ-ZBFHGGJFSA-N
MW276.38 g/mol
LogP1.72
Rot. Bonds4

About 3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]benzamide

3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]benzamide (PubChem CID 11521945) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]benzamide.

Molecular Properties

Compound Name3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]benzamide
PubChem CID11521945
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]benzamide
SMILESCN(C)C[C@H]1CCCC[C@]1(O)c1cccc(C(N)=O)c1
InChIInChI=1S/C16H24N2O2/c1-18(2)11-14-7-3-4-9-16(14,20)13-8-5-6-12(10-13)15(17)19/h5-6,8,10,14,20H,3-4,7,9,11H2,1-2H3,(H2,17,19)/t14-,16+/m1/s1
InChIKeyHMYGNTXDYGVULQ-ZBFHGGJFSA-N
XLogP1.72
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]benzamide?
The IUPAC name of 3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]benzamide (CID 11521945) is 3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]benzamide.
What is the SMILES notation for 3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]benzamide?
The canonical SMILES for 3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]benzamide is CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(C(N)=O)c1.
What is the InChIKey of 3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]benzamide?
The InChIKey is HMYGNTXDYGVULQ-ZBFHGGJFSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-18(2)11-14-7-3-4-9-16(14,20)13-8-5-6-12(10-13)15(17)19/h5-6,8,10,14,20H,3-4,7,9,11H2,1-2H3,(H2,17,19)/t14-,16+/m1/s1.
What are the key properties of 3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]benzamide?
3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]benzamide has a molecular weight of 276.38 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]benzamide is sourced from PubChem (CID 11521945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).