3-(dimethylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide

C17H26N2O2 — CID 65123540

IUPAC3-(dimethylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide
SMILESCN(C)c1cccc(C(=O)NCC2(O)CCCCCC2)c1
InChIInChI=1S/C17H26N2O2/c1-19(2)15-9-7-8-14(12-15)16(20)18-13-17(21)10-5-3-4-6-11-17/h7-9,12,21H,3-6,10-11,13H2,1-2H3,(H,18,20)
InChIKeySKXRLEPWYZRUJZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.57
Rot. Bonds4

About 3-(dimethylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide

3-(dimethylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide (PubChem CID 65123540) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide
PubChem CID65123540
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-(dimethylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide
SMILESCN(C)c1cccc(C(=O)NCC2(O)CCCCCC2)c1
InChIInChI=1S/C17H26N2O2/c1-19(2)15-9-7-8-14(12-15)16(20)18-13-17(21)10-5-3-4-6-11-17/h7-9,12,21H,3-6,10-11,13H2,1-2H3,(H,18,20)
InChIKeySKXRLEPWYZRUJZ-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 2108139
3-(dimethylamino)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115362491
N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 64868051
3-(dimethylamino)-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 24564777
1-[[[3-(dimethylamino)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445284
N-[(1-hydroxycyclohexyl)methyl]-3-methylsulfonylbenzamide
CID 64866337
3-N-(2,2-dimethylpropyl)-1-N-[(1-hydroxycyclopentyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 111459566
3-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 111446107
N-[(4-chloro-1-hydroxycyclohexyl)methyl]-3-(N-methylanilino)benzamide
CID 141340385
3-(dimethylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 107301705
3-(dimethylamino)-N-pent-3-ynylbenzamide
CID 115977332
3-[[[3-(dimethylamino)benzoyl]amino]methyl]benzamide
CID 32636517

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide (CID 65123540) is 3-(dimethylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide is CN(C)c1cccc(C(=O)NCC2(O)CCCCCC2)c1.
What is the InChIKey of 3-(dimethylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide?
The InChIKey is SKXRLEPWYZRUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-19(2)15-9-7-8-14(12-15)16(20)18-13-17(21)10-5-3-4-6-11-17/h7-9,12,21H,3-6,10-11,13H2,1-2H3,(H,18,20).
What are the key properties of 3-(dimethylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide?
3-(dimethylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide has a molecular weight of 290.41 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[(1-hydroxycycloheptyl)methyl]benzamide is sourced from PubChem (CID 65123540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).