3-amino-N-cyclohexyl-4-[2-(dimethylamino)ethoxy]benzamide

C17H27N3O2 — CID 82070507

IUPAC3-amino-N-cyclohexyl-4-[2-(dimethylamino)ethoxy]benzamide
SMILESCN(C)CCOc1ccc(C(=O)NC2CCCCC2)cc1N
InChIInChI=1S/C17H27N3O2/c1-20(2)10-11-22-16-9-8-13(12-15(16)18)17(21)19-14-6-4-3-5-7-14/h8-9,12,14H,3-7,10-11,18H2,1-2H3,(H,19,21)
InChIKeyMIEXAHOAZOMFDM-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.27
Rot. Bonds6

About 3-amino-N-cyclohexyl-4-[2-(dimethylamino)ethoxy]benzamide

3-amino-N-cyclohexyl-4-[2-(dimethylamino)ethoxy]benzamide (PubChem CID 82070507) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-amino-N-cyclohexyl-4-[2-(dimethylamino)ethoxy]benzamide.

Molecular Properties

Compound Name3-amino-N-cyclohexyl-4-[2-(dimethylamino)ethoxy]benzamide
PubChem CID82070507
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name3-amino-N-cyclohexyl-4-[2-(dimethylamino)ethoxy]benzamide
SMILESCN(C)CCOc1ccc(C(=O)NC2CCCCC2)cc1N
InChIInChI=1S/C17H27N3O2/c1-20(2)10-11-22-16-9-8-13(12-15(16)18)17(21)19-14-6-4-3-5-7-14/h8-9,12,14H,3-7,10-11,18H2,1-2H3,(H,19,21)
InChIKeyMIEXAHOAZOMFDM-UHFFFAOYSA-N
XLogP2.27
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-cyclopentyl-3-[3-(dimethylamino)propoxy]benzamide
CID 82070130
3-amino-N-cyclohexyl-4-ethoxybenzamide
CID 28689929
3-amino-4-[2-(dimethylamino)ethoxy]-N-methylbenzamide
CID 79021333
3-amino-N-cyclopentyl-4-(2,2,2-trifluoroethoxy)benzamide
CID 171933201
3-amino-N-[3-(dimethylamino)propyl]-4-pentoxybenzamide
CID 93216779
3-amino-4-ethoxy-N-(4-hydroxycyclohexyl)benzamide
CID 61089801
3-amino-4-[3-(dimethylamino)propoxy]-N-(3-methoxypropyl)benzamide
CID 93216844
1-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-2-methylpropan-1-one
CID 82064323
3-amino-N-(2-methylcyclohexyl)-4-propoxybenzamide
CID 82070304
4-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045756
N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
cyclohexyl 4-amino-3-[2-(dimethylamino)ethoxy]benzoate
CID 93204052

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclohexyl-4-[2-(dimethylamino)ethoxy]benzamide?
The IUPAC name of 3-amino-N-cyclohexyl-4-[2-(dimethylamino)ethoxy]benzamide (CID 82070507) is 3-amino-N-cyclohexyl-4-[2-(dimethylamino)ethoxy]benzamide.
What is the SMILES notation for 3-amino-N-cyclohexyl-4-[2-(dimethylamino)ethoxy]benzamide?
The canonical SMILES for 3-amino-N-cyclohexyl-4-[2-(dimethylamino)ethoxy]benzamide is CN(C)CCOc1ccc(C(=O)NC2CCCCC2)cc1N.
What is the InChIKey of 3-amino-N-cyclohexyl-4-[2-(dimethylamino)ethoxy]benzamide?
The InChIKey is MIEXAHOAZOMFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-20(2)10-11-22-16-9-8-13(12-15(16)18)17(21)19-14-6-4-3-5-7-14/h8-9,12,14H,3-7,10-11,18H2,1-2H3,(H,19,21).
What are the key properties of 3-amino-N-cyclohexyl-4-[2-(dimethylamino)ethoxy]benzamide?
3-amino-N-cyclohexyl-4-[2-(dimethylamino)ethoxy]benzamide has a molecular weight of 305.42 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclohexyl-4-[2-(dimethylamino)ethoxy]benzamide is sourced from PubChem (CID 82070507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).