4-amino-N-cyclopentyl-3-[3-(dimethylamino)propoxy]benzamide

C17H27N3O2 — CID 82070130

IUPAC4-amino-N-cyclopentyl-3-[3-(dimethylamino)propoxy]benzamide
SMILESCN(C)CCCOc1cc(C(=O)NC2CCCC2)ccc1N
InChIInChI=1S/C17H27N3O2/c1-20(2)10-5-11-22-16-12-13(8-9-15(16)18)17(21)19-14-6-3-4-7-14/h8-9,12,14H,3-7,10-11,18H2,1-2H3,(H,19,21)
InChIKeyWPABOASJOXUTJZ-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.27
Rot. Bonds7

About 4-amino-N-cyclopentyl-3-[3-(dimethylamino)propoxy]benzamide

4-amino-N-cyclopentyl-3-[3-(dimethylamino)propoxy]benzamide (PubChem CID 82070130) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-amino-N-cyclopentyl-3-[3-(dimethylamino)propoxy]benzamide.

Molecular Properties

Compound Name4-amino-N-cyclopentyl-3-[3-(dimethylamino)propoxy]benzamide
PubChem CID82070130
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name4-amino-N-cyclopentyl-3-[3-(dimethylamino)propoxy]benzamide
SMILESCN(C)CCCOc1cc(C(=O)NC2CCCC2)ccc1N
InChIInChI=1S/C17H27N3O2/c1-20(2)10-5-11-22-16-12-13(8-9-15(16)18)17(21)19-14-6-3-4-7-14/h8-9,12,14H,3-7,10-11,18H2,1-2H3,(H,19,21)
InChIKeyWPABOASJOXUTJZ-UHFFFAOYSA-N
XLogP2.27
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-cyclohexyl-4-[2-(dimethylamino)ethoxy]benzamide
CID 82070507
cyclopentyl 4-amino-3-[3-(dimethylamino)propoxy]benzoate
CID 93204053
4-amino-3-(cyanomethoxy)-N-cycloheptylbenzamide
CID 82069915
cyclohexyl 4-amino-3-[2-(dimethylamino)ethoxy]benzoate
CID 93204052
4-amino-N-cyclohexyl-3-methylbenzamide
CID 16773559
3-N-cyclohexyl-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109052138
N-(2-acetamidoethyl)-4-amino-3-[2-(dimethylamino)ethoxy]benzamide
CID 93216697
3-amino-N-cyclohexyl-4-ethoxybenzamide
CID 28689929
4-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045756
4-amino-N-cyclopropyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzamide
CID 82069705
4-amino-N-(4-hydroxycyclohexyl)-3-methoxybenzamide
CID 89028279
3-bromo-N-cyclopentyl-4-(2-methoxyethoxy)benzamide
CID 15943284

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopentyl-3-[3-(dimethylamino)propoxy]benzamide?
The IUPAC name of 4-amino-N-cyclopentyl-3-[3-(dimethylamino)propoxy]benzamide (CID 82070130) is 4-amino-N-cyclopentyl-3-[3-(dimethylamino)propoxy]benzamide.
What is the SMILES notation for 4-amino-N-cyclopentyl-3-[3-(dimethylamino)propoxy]benzamide?
The canonical SMILES for 4-amino-N-cyclopentyl-3-[3-(dimethylamino)propoxy]benzamide is CN(C)CCCOc1cc(C(=O)NC2CCCC2)ccc1N.
What is the InChIKey of 4-amino-N-cyclopentyl-3-[3-(dimethylamino)propoxy]benzamide?
The InChIKey is WPABOASJOXUTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-20(2)10-5-11-22-16-12-13(8-9-15(16)18)17(21)19-14-6-3-4-7-14/h8-9,12,14H,3-7,10-11,18H2,1-2H3,(H,19,21).
What are the key properties of 4-amino-N-cyclopentyl-3-[3-(dimethylamino)propoxy]benzamide?
4-amino-N-cyclopentyl-3-[3-(dimethylamino)propoxy]benzamide has a molecular weight of 305.42 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopentyl-3-[3-(dimethylamino)propoxy]benzamide is sourced from PubChem (CID 82070130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).