4-(dimethylamino)-N-[(1R,2S)-2-hydroxycycloheptyl]benzamide

C16H24N2O2 — CID 101152324

IUPAC4-(dimethylamino)-N-[(1R,2S)-2-hydroxycycloheptyl]benzamide
SMILESCN(C)c1ccc(C(=O)N[C@@H]2CCCCC[C@@H]2O)cc1
InChIInChI=1S/C16H24N2O2/c1-18(2)13-10-8-12(9-11-13)16(20)17-14-6-4-3-5-7-15(14)19/h8-11,14-15,19H,3-7H2,1-2H3,(H,17,20)/t14-,15+/m1/s1
InChIKeyTYGHUUVHJGVJSD-CABCVRRESA-N
MW276.38 g/mol
LogP2.18
Rot. Bonds3

About 4-(dimethylamino)-N-[(1R,2S)-2-hydroxycycloheptyl]benzamide

4-(dimethylamino)-N-[(1R,2S)-2-hydroxycycloheptyl]benzamide (PubChem CID 101152324) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[(1R,2S)-2-hydroxycycloheptyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[(1R,2S)-2-hydroxycycloheptyl]benzamide
PubChem CID101152324
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-(dimethylamino)-N-[(1R,2S)-2-hydroxycycloheptyl]benzamide
SMILESCN(C)c1ccc(C(=O)N[C@@H]2CCCCC[C@@H]2O)cc1
InChIInChI=1S/C16H24N2O2/c1-18(2)13-10-8-12(9-11-13)16(20)17-14-6-4-3-5-7-15(14)19/h8-11,14-15,19H,3-7H2,1-2H3,(H,17,20)/t14-,15+/m1/s1
InChIKeyTYGHUUVHJGVJSD-CABCVRRESA-N
XLogP2.18
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylamino)-N-[(2S)-2-hydroxycyclohexyl]benzamide
CID 134880490
N-(2-aminocyclohexyl)-4-(dimethylamino)benzamide
CID 61037234
4-(diethylamino)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 104957212
N-(2-hydroxycyclohexyl)-4-(methylamino)benzamide
CID 62360968
N-[2-(bromomethyl)cyclohexyl]-4-(dimethylamino)benzamide
CID 106367084
4-[(dimethylamino)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 104957519
N-(2-hydroxycyclohexyl)-4-iodobenzamide
CID 62365415
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 40617766
4-bromo-N-(2-hydroxycyclohexyl)benzamide
CID 3294155
4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 27109566
3-[3-(dimethylamino)phenyl]-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 118768379
4-acetamido-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 104927556

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[(1R,2S)-2-hydroxycycloheptyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[(1R,2S)-2-hydroxycycloheptyl]benzamide (CID 101152324) is 4-(dimethylamino)-N-[(1R,2S)-2-hydroxycycloheptyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[(1R,2S)-2-hydroxycycloheptyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[(1R,2S)-2-hydroxycycloheptyl]benzamide is CN(C)c1ccc(C(=O)N[C@@H]2CCCCC[C@@H]2O)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[(1R,2S)-2-hydroxycycloheptyl]benzamide?
The InChIKey is TYGHUUVHJGVJSD-CABCVRRESA-N. The full InChI is InChI=1S/C16H24N2O2/c1-18(2)13-10-8-12(9-11-13)16(20)17-14-6-4-3-5-7-15(14)19/h8-11,14-15,19H,3-7H2,1-2H3,(H,17,20)/t14-,15+/m1/s1.
What are the key properties of 4-(dimethylamino)-N-[(1R,2S)-2-hydroxycycloheptyl]benzamide?
4-(dimethylamino)-N-[(1R,2S)-2-hydroxycycloheptyl]benzamide has a molecular weight of 276.38 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[(1R,2S)-2-hydroxycycloheptyl]benzamide is sourced from PubChem (CID 101152324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).