N-(2-amino-4-ethoxyphenyl)-4-ethoxybenzamide

C17H20N2O3 — CID 91687646

IUPACN-(2-amino-4-ethoxyphenyl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(OCC)cc2N)cc1
InChIInChI=1S/C17H20N2O3/c1-3-21-13-7-5-12(6-8-13)17(20)19-16-10-9-14(22-4-2)11-15(16)18/h5-11H,3-4,18H2,1-2H3,(H,19,20)
InChIKeyWDXMOWDEQWPMFD-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.32
Rot. Bonds6

About N-(2-amino-4-ethoxyphenyl)-4-ethoxybenzamide

N-(2-amino-4-ethoxyphenyl)-4-ethoxybenzamide (PubChem CID 91687646) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(2-amino-4-ethoxyphenyl)-4-ethoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-4-ethoxyphenyl)-4-ethoxybenzamide
PubChem CID91687646
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-(2-amino-4-ethoxyphenyl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(OCC)cc2N)cc1
InChIInChI=1S/C17H20N2O3/c1-3-21-13-7-5-12(6-8-13)17(20)19-16-10-9-14(22-4-2)11-15(16)18/h5-11H,3-4,18H2,1-2H3,(H,19,20)
InChIKeyWDXMOWDEQWPMFD-UHFFFAOYSA-N
XLogP3.32
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.32
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

N-(2-amino-4-ethoxyphenyl)propanamide
CID 83506350
N-(2-amino-4-chlorophenyl)-4-propoxybenzamide
CID 91687642
N-(4-chloro-2-fluorophenyl)-4-ethoxybenzamide
CID 897315
N-(2-amino-4-methylphenyl)-3-ethoxybenzamide
CID 56773265
N-(2-amino-4-ethoxyphenyl)-2-(4-tert-butylphenoxy)acetamide
CID 91689000
4-ethoxy-N-(4-iodo-2-methylphenyl)benzamide
CID 1350175
3-amino-4-chloro-N-(4-ethoxy-2-methylphenyl)benzamide
CID 60928289
4-bromo-N-(4-ethoxy-2-methylphenyl)benzamide
CID 47267913
N-(2-amino-5-chloro-3-pyridinyl)-4-ethoxybenzamide
CID 29155614
N-(2-acetamidophenyl)-4-ethoxybenzamide
CID 891466
N-(3-amino-4-chlorophenyl)-4-ethoxybenzamide
CID 18071163
4-amino-N-(4-ethoxyphenyl)-3-fluorobenzamide
CID 62679243

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-ethoxyphenyl)-4-ethoxybenzamide?
The IUPAC name of N-(2-amino-4-ethoxyphenyl)-4-ethoxybenzamide (CID 91687646) is N-(2-amino-4-ethoxyphenyl)-4-ethoxybenzamide.
What is the SMILES notation for N-(2-amino-4-ethoxyphenyl)-4-ethoxybenzamide?
The canonical SMILES for N-(2-amino-4-ethoxyphenyl)-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2ccc(OCC)cc2N)cc1.
What is the InChIKey of N-(2-amino-4-ethoxyphenyl)-4-ethoxybenzamide?
The InChIKey is WDXMOWDEQWPMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-3-21-13-7-5-12(6-8-13)17(20)19-16-10-9-14(22-4-2)11-15(16)18/h5-11H,3-4,18H2,1-2H3,(H,19,20).
What are the key properties of N-(2-amino-4-ethoxyphenyl)-4-ethoxybenzamide?
N-(2-amino-4-ethoxyphenyl)-4-ethoxybenzamide has a molecular weight of 300.36 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-ethoxyphenyl)-4-ethoxybenzamide is sourced from PubChem (CID 91687646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).