3-amino-4-ethoxy-N-(1-ethylpiperidin-3-yl)benzamide

C16H25N3O2 — CID 61169768

IUPAC3-amino-4-ethoxy-N-(1-ethylpiperidin-3-yl)benzamide
SMILESCCOc1ccc(C(=O)NC2CCCN(CC)C2)cc1N
InChIInChI=1S/C16H25N3O2/c1-3-19-9-5-6-13(11-19)18-16(20)12-7-8-15(21-4-2)14(17)10-12/h7-8,10,13H,3-6,9,11,17H2,1-2H3,(H,18,20)
InChIKeyQKXNHDLMORHNGD-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.88
Rot. Bonds5

About 3-amino-4-ethoxy-N-(1-ethylpiperidin-3-yl)benzamide

3-amino-4-ethoxy-N-(1-ethylpiperidin-3-yl)benzamide (PubChem CID 61169768) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-amino-4-ethoxy-N-(1-ethylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name3-amino-4-ethoxy-N-(1-ethylpiperidin-3-yl)benzamide
PubChem CID61169768
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name3-amino-4-ethoxy-N-(1-ethylpiperidin-3-yl)benzamide
SMILESCCOc1ccc(C(=O)NC2CCCN(CC)C2)cc1N
InChIInChI=1S/C16H25N3O2/c1-3-19-9-5-6-13(11-19)18-16(20)12-7-8-15(21-4-2)14(17)10-12/h7-8,10,13H,3-6,9,11,17H2,1-2H3,(H,18,20)
InChIKeyQKXNHDLMORHNGD-UHFFFAOYSA-N
XLogP1.88
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.88
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

3-amino-N-cyclohexyl-4-ethoxybenzamide
CID 28689929
3-amino-4-chloro-N-(1-ethylpiperidin-3-yl)benzamide
CID 61170156
3-amino-4-ethoxy-N-(4-hydroxycyclohexyl)benzamide
CID 61089801
3-amino-N-(1,1-dioxothian-3-yl)-4-ethoxybenzamide
CID 63924857
N-(1-ethylpiperidin-3-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103765277
3-amino-4-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106358670
N-(1-ethylpiperidin-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 61169040
3-amino-N-(2,6-dimethylpiperidin-1-yl)-4-ethoxybenzamide
CID 83003513
2-amino-N-(1-ethylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide
CID 90978289
N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
N-(1-ethylpiperidin-3-yl)-2-(methylamino)pyridine-4-carboxamide
CID 62175971
N-(1-ethylpiperidin-3-yl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712140

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethoxy-N-(1-ethylpiperidin-3-yl)benzamide?
The IUPAC name of 3-amino-4-ethoxy-N-(1-ethylpiperidin-3-yl)benzamide (CID 61169768) is 3-amino-4-ethoxy-N-(1-ethylpiperidin-3-yl)benzamide.
What is the SMILES notation for 3-amino-4-ethoxy-N-(1-ethylpiperidin-3-yl)benzamide?
The canonical SMILES for 3-amino-4-ethoxy-N-(1-ethylpiperidin-3-yl)benzamide is CCOc1ccc(C(=O)NC2CCCN(CC)C2)cc1N.
What is the InChIKey of 3-amino-4-ethoxy-N-(1-ethylpiperidin-3-yl)benzamide?
The InChIKey is QKXNHDLMORHNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-19-9-5-6-13(11-19)18-16(20)12-7-8-15(21-4-2)14(17)10-12/h7-8,10,13H,3-6,9,11,17H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-4-ethoxy-N-(1-ethylpiperidin-3-yl)benzamide?
3-amino-4-ethoxy-N-(1-ethylpiperidin-3-yl)benzamide has a molecular weight of 291.40 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethoxy-N-(1-ethylpiperidin-3-yl)benzamide is sourced from PubChem (CID 61169768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).