3-amino-5-ethoxy-N-methyl-N-pentan-3-ylbenzamide

C15H24N2O2 — CID 81089701

IUPAC3-amino-5-ethoxy-N-methyl-N-pentan-3-ylbenzamide
SMILESCCOc1cc(N)cc(C(=O)N(C)C(CC)CC)c1
InChIInChI=1S/C15H24N2O2/c1-5-13(6-2)17(4)15(18)11-8-12(16)10-14(9-11)19-7-3/h8-10,13H,5-7,16H2,1-4H3
InChIKeyFIZGVLLHIYTPRV-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.93
Rot. Bonds6

About 3-amino-5-ethoxy-N-methyl-N-pentan-3-ylbenzamide

3-amino-5-ethoxy-N-methyl-N-pentan-3-ylbenzamide (PubChem CID 81089701) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-amino-5-ethoxy-N-methyl-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name3-amino-5-ethoxy-N-methyl-N-pentan-3-ylbenzamide
PubChem CID81089701
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-amino-5-ethoxy-N-methyl-N-pentan-3-ylbenzamide
SMILESCCOc1cc(N)cc(C(=O)N(C)C(CC)CC)c1
InChIInChI=1S/C15H24N2O2/c1-5-13(6-2)17(4)15(18)11-8-12(16)10-14(9-11)19-7-3/h8-10,13H,5-7,16H2,1-4H3
InChIKeyFIZGVLLHIYTPRV-UHFFFAOYSA-N
XLogP2.93
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-5-ethoxy-N-methyl-N-pentan-3-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-butan-2-yl-5-ethoxy-N-ethylbenzamide
CID 81090424
3-amino-5-ethoxy-N-methyl-N-(2-methylpropyl)benzamide
CID 81090070
3-amino-5-ethoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 81089871
3-amino-N,N-dibutyl-5-ethoxybenzamide
CID 81095116
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-amino-5-ethoxybenzoate
CID 81093375
3-amino-5-ethoxy-N-methyl-N-(4-methylphenyl)benzamide
CID 81093808
ethyl 3-amino-5-ethoxybenzoate
CID 58424919
3-amino-N-cyclopropyl-5-ethoxy-N-ethylbenzamide
CID 81090601
3-amino-5-ethoxy-N-pentan-3-ylbenzamide
CID 81090876
methyl 3-amino-5-ethoxybenzoate
CID 45089063
3-amino-5-ethoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106913786
3-amino-5-ethoxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 81092975

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-ethoxy-N-methyl-N-pentan-3-ylbenzamide?
The IUPAC name of 3-amino-5-ethoxy-N-methyl-N-pentan-3-ylbenzamide (CID 81089701) is 3-amino-5-ethoxy-N-methyl-N-pentan-3-ylbenzamide.
What is the SMILES notation for 3-amino-5-ethoxy-N-methyl-N-pentan-3-ylbenzamide?
The canonical SMILES for 3-amino-5-ethoxy-N-methyl-N-pentan-3-ylbenzamide is CCOc1cc(N)cc(C(=O)N(C)C(CC)CC)c1.
What is the InChIKey of 3-amino-5-ethoxy-N-methyl-N-pentan-3-ylbenzamide?
The InChIKey is FIZGVLLHIYTPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-13(6-2)17(4)15(18)11-8-12(16)10-14(9-11)19-7-3/h8-10,13H,5-7,16H2,1-4H3.
What are the key properties of 3-amino-5-ethoxy-N-methyl-N-pentan-3-ylbenzamide?
3-amino-5-ethoxy-N-methyl-N-pentan-3-ylbenzamide has a molecular weight of 264.37 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-ethoxy-N-methyl-N-pentan-3-ylbenzamide is sourced from PubChem (CID 81089701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).