4-[(dimethylamino)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide

C16H24N2O2 — CID 104957519

IUPAC4-[(dimethylamino)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
SMILESCN(C)Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1
InChIInChI=1S/C16H24N2O2/c1-18(2)11-12-7-9-13(10-8-12)16(20)17-14-5-3-4-6-15(14)19/h7-10,14-15,19H,3-6,11H2,1-2H3,(H,17,20)/t14-,15-/m0/s1
InChIKeyNFNPSJCBPIFDNX-GJZGRUSLSA-N
MW276.38 g/mol
LogP1.78
Rot. Bonds4

About 4-[(dimethylamino)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide

4-[(dimethylamino)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide (PubChem CID 104957519) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
PubChem CID104957519
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-[(dimethylamino)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
SMILESCN(C)Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1
InChIInChI=1S/C16H24N2O2/c1-18(2)11-12-7-9-13(10-8-12)16(20)17-14-5-3-4-6-15(14)19/h7-10,14-15,19H,3-6,11H2,1-2H3,(H,17,20)/t14-,15-/m0/s1
InChIKeyNFNPSJCBPIFDNX-GJZGRUSLSA-N
XLogP1.78
TPSA52.57 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 ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylamino)-N-[(2S)-2-hydroxycyclohexyl]benzamide
CID 134880490
4-(dimethylamino)-N-[(1R,2S)-2-hydroxycycloheptyl]benzamide
CID 101152324
4-[(dimethylamino)methyl]-N-(4-hydroxycyclohexyl)benzamide
CID 43393996
4-(diethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 104957212
N-(2-hydroxycyclohexyl)-4-(methylamino)benzamide
CID 62360968
4-bromo-N-(2-hydroxycyclohexyl)benzamide
CID 3294155
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 40617766
N-(2-hydroxycyclohexyl)-4-iodobenzamide
CID 62365415
4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 27109566
4-acetamido-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 104927556
4-chloro-N-(2-hydroxycyclopentyl)benzamide
CID 14967652
4-[(dimethylamino)methyl]-N-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]benzamide
CID 97060723

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide?
The IUPAC name of 4-[(dimethylamino)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide (CID 104957519) is 4-[(dimethylamino)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide.
What is the SMILES notation for 4-[(dimethylamino)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide?
The canonical SMILES for 4-[(dimethylamino)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide is CN(C)Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1.
What is the InChIKey of 4-[(dimethylamino)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide?
The InChIKey is NFNPSJCBPIFDNX-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-18(2)11-12-7-9-13(10-8-12)16(20)17-14-5-3-4-6-15(14)19/h7-10,14-15,19H,3-6,11H2,1-2H3,(H,17,20)/t14-,15-/m0/s1.
What are the key properties of 4-[(dimethylamino)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide?
4-[(dimethylamino)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide has a molecular weight of 276.38 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide is sourced from PubChem (CID 104957519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).