3-[2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-N-methylbenzamide

C17H26N2O2 — CID 11572860

IUPAC3-[2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(C2(O)CCCCC2CN(C)C)c1
InChIInChI=1S/C17H26N2O2/c1-18-16(20)13-7-6-9-14(11-13)17(21)10-5-4-8-15(17)12-19(2)3/h6-7,9,11,15,21H,4-5,8,10,12H2,1-3H3,(H,18,20)
InChIKeyVCZNBPYOWRFMPT-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.99
Rot. Bonds4

About 3-[2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-N-methylbenzamide

3-[2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-N-methylbenzamide (PubChem CID 11572860) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-N-methylbenzamide
PubChem CID11572860
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-[2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(C2(O)CCCCC2CN(C)C)c1
InChIInChI=1S/C17H26N2O2/c1-18-16(20)13-7-6-9-14(11-13)17(21)10-5-4-8-15(17)12-19(2)3/h6-7,9,11,15,21H,4-5,8,10,12H2,1-3H3,(H,18,20)
InChIKeyVCZNBPYOWRFMPT-UHFFFAOYSA-N
XLogP1.99
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-N-methylbenzamide?
The IUPAC name of 3-[2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-N-methylbenzamide (CID 11572860) is 3-[2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-N-methylbenzamide.
What is the SMILES notation for 3-[2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-N-methylbenzamide?
The canonical SMILES for 3-[2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-N-methylbenzamide is CNC(=O)c1cccc(C2(O)CCCCC2CN(C)C)c1.
What is the InChIKey of 3-[2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-N-methylbenzamide?
The InChIKey is VCZNBPYOWRFMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-18-16(20)13-7-6-9-14(11-13)17(21)10-5-4-8-15(17)12-19(2)3/h6-7,9,11,15,21H,4-5,8,10,12H2,1-3H3,(H,18,20).
What are the key properties of 3-[2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-N-methylbenzamide?
3-[2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-N-methylbenzamide has a molecular weight of 290.41 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]-N-methylbenzamide is sourced from PubChem (CID 11572860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).