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

C17H26N2O2 — CID 104957212

IUPAC4-(diethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
SMILESCCN(CC)c1ccc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1
InChIInChI=1S/C17H26N2O2/c1-3-19(4-2)14-11-9-13(10-12-14)17(21)18-15-7-5-6-8-16(15)20/h9-12,15-16,20H,3-8H2,1-2H3,(H,18,21)/t15-,16-/m0/s1
InChIKeyAAFMOFSEOFGPCN-HOTGVXAUSA-N
MW290.41 g/mol
LogP2.57
Rot. Bonds5

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

4-(diethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide (PubChem CID 104957212) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-(diethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide.

Molecular Properties

Compound Name4-(diethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
PubChem CID104957212
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-(diethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
SMILESCCN(CC)c1ccc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1
InChIInChI=1S/C17H26N2O2/c1-3-19(4-2)14-11-9-13(10-12-14)17(21)18-15-7-5-6-8-16(15)20/h9-12,15-16,20H,3-8H2,1-2H3,(H,18,21)/t15-,16-/m0/s1
InChIKeyAAFMOFSEOFGPCN-HOTGVXAUSA-N
XLogP2.57
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.57
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
N-(2-hydroxycyclohexyl)-4-(methylamino)benzamide
CID 62360968
N-[(1R,2S)-2-[[4-(diethylamino)phenyl]methylamino]cyclohexyl]-4-fluorobenzamide
CID 90644987
4-acetamido-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 104927556
4-[(dimethylamino)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 104957519
N-(2-hydroxycyclohexyl)-4-iodobenzamide
CID 62365415
4-bromo-N-(2-hydroxycyclohexyl)benzamide
CID 3294155
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 40617766
4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 27109566
1-N-cyclopropyl-4-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109043408
4-[ethyl(propyl)amino]-N-(2-methylpiperidin-3-yl)benzamide
CID 120573277

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide?
The IUPAC name of 4-(diethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide (CID 104957212) is 4-(diethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide.
What is the SMILES notation for 4-(diethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide?
The canonical SMILES for 4-(diethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide is CCN(CC)c1ccc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1.
What is the InChIKey of 4-(diethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide?
The InChIKey is AAFMOFSEOFGPCN-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-19(4-2)14-11-9-13(10-12-14)17(21)18-15-7-5-6-8-16(15)20/h9-12,15-16,20H,3-8H2,1-2H3,(H,18,21)/t15-,16-/m0/s1.
What are the key properties of 4-(diethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide?
4-(diethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide has a molecular weight of 290.41 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide is sourced from PubChem (CID 104957212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).