3-amino-5-ethoxy-N-methyl-N-(2-methylpropyl)benzamide

C14H22N2O2 — CID 81090070

IUPAC3-amino-5-ethoxy-N-methyl-N-(2-methylpropyl)benzamide
SMILESCCOc1cc(N)cc(C(=O)N(C)CC(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-5-18-13-7-11(6-12(15)8-13)14(17)16(4)9-10(2)3/h6-8,10H,5,9,15H2,1-4H3
InChIKeyRFHOTADYPWDCNF-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.40
Rot. Bonds5

About 3-amino-5-ethoxy-N-methyl-N-(2-methylpropyl)benzamide

3-amino-5-ethoxy-N-methyl-N-(2-methylpropyl)benzamide (PubChem CID 81090070) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-amino-5-ethoxy-N-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-amino-5-ethoxy-N-methyl-N-(2-methylpropyl)benzamide
PubChem CID81090070
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-amino-5-ethoxy-N-methyl-N-(2-methylpropyl)benzamide
SMILESCCOc1cc(N)cc(C(=O)N(C)CC(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-5-18-13-7-11(6-12(15)8-13)14(17)16(4)9-10(2)3/h6-8,10H,5,9,15H2,1-4H3
InChIKeyRFHOTADYPWDCNF-UHFFFAOYSA-N
XLogP2.40
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.40
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-(2-methylpropyl)benzamide 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-5-ethoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 81089871
3-amino-5-ethoxy-N-methyl-N-pentan-3-ylbenzamide
CID 81089701
3-amino-N-butan-2-yl-5-ethoxy-N-ethylbenzamide
CID 81090424
3-amino-5-ethoxy-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106913786
3-methylbutyl 3-amino-5-ethoxybenzoate
CID 81091232
3-amino-5-ethoxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 81092975
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
2-hydroxypropyl 3-amino-5-ethoxybenzoate
CID 81092070

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-ethoxy-N-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-amino-5-ethoxy-N-methyl-N-(2-methylpropyl)benzamide (CID 81090070) is 3-amino-5-ethoxy-N-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-amino-5-ethoxy-N-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-amino-5-ethoxy-N-methyl-N-(2-methylpropyl)benzamide is CCOc1cc(N)cc(C(=O)N(C)CC(C)C)c1.
What is the InChIKey of 3-amino-5-ethoxy-N-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is RFHOTADYPWDCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-18-13-7-11(6-12(15)8-13)14(17)16(4)9-10(2)3/h6-8,10H,5,9,15H2,1-4H3.
What are the key properties of 3-amino-5-ethoxy-N-methyl-N-(2-methylpropyl)benzamide?
3-amino-5-ethoxy-N-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 250.34 g/mol, XLogP of 2.40, 5 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-(2-methylpropyl)benzamide is sourced from PubChem (CID 81090070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).