3-amino-N-(2-ethoxy-5-methylphenyl)-4-methoxybenzamide

C17H20N2O3 — CID 91684337

IUPAC3-amino-N-(2-ethoxy-5-methylphenyl)-4-methoxybenzamide
SMILESCCOc1ccc(C)cc1NC(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C17H20N2O3/c1-4-22-16-7-5-11(2)9-14(16)19-17(20)12-6-8-15(21-3)13(18)10-12/h5-10H,4,18H2,1-3H3,(H,19,20)
InChIKeyIVHDTPHOZKVLEW-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.24
Rot. Bonds5

About 3-amino-N-(2-ethoxy-5-methylphenyl)-4-methoxybenzamide

3-amino-N-(2-ethoxy-5-methylphenyl)-4-methoxybenzamide (PubChem CID 91684337) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-amino-N-(2-ethoxy-5-methylphenyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(2-ethoxy-5-methylphenyl)-4-methoxybenzamide
PubChem CID91684337
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name3-amino-N-(2-ethoxy-5-methylphenyl)-4-methoxybenzamide
SMILESCCOc1ccc(C)cc1NC(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C17H20N2O3/c1-4-22-16-7-5-11(2)9-14(16)19-17(20)12-6-8-15(21-3)13(18)10-12/h5-10H,4,18H2,1-3H3,(H,19,20)
InChIKeyIVHDTPHOZKVLEW-UHFFFAOYSA-N
XLogP3.24
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.24
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-(2-hydroxy-5-methylphenyl)-4-methoxybenzamide
CID 110486424
4-ethoxy-N-(2-ethoxy-4-methylphenyl)-3-methoxybenzamide
CID 87027059
4-bromo-N-(2-ethoxy-5-methylphenyl)benzamide
CID 868412
N-(2-amino-4-methylphenyl)-3,4-dimethoxybenzamide
CID 28866924
3-(ethoxymethyl)-4-methoxy-N-(2-methoxy-5-methylphenyl)benzamide
CID 24502664
3-amino-N-(2-ethoxy-5-methylphenyl)-2-methylbenzamide
CID 91684333
1-N,3-N-bis(2-ethoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141155437
6-(2-ethoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109164093
3-amino-N-(4-bromo-2-methylphenyl)-4-ethoxybenzamide
CID 61091755
3,4-diethoxy-N-(2-hydroxy-4-methylphenyl)benzamide
CID 26864885
3-amino-4-bromo-N-(5-chloro-2-ethoxyphenyl)benzamide
CID 61102222
3-amino-N-(4-hydroxy-2-methylphenyl)-4-methoxybenzamide
CID 110468878

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-ethoxy-5-methylphenyl)-4-methoxybenzamide?
The IUPAC name of 3-amino-N-(2-ethoxy-5-methylphenyl)-4-methoxybenzamide (CID 91684337) is 3-amino-N-(2-ethoxy-5-methylphenyl)-4-methoxybenzamide.
What is the SMILES notation for 3-amino-N-(2-ethoxy-5-methylphenyl)-4-methoxybenzamide?
The canonical SMILES for 3-amino-N-(2-ethoxy-5-methylphenyl)-4-methoxybenzamide is CCOc1ccc(C)cc1NC(=O)c1ccc(OC)c(N)c1.
What is the InChIKey of 3-amino-N-(2-ethoxy-5-methylphenyl)-4-methoxybenzamide?
The InChIKey is IVHDTPHOZKVLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-4-22-16-7-5-11(2)9-14(16)19-17(20)12-6-8-15(21-3)13(18)10-12/h5-10H,4,18H2,1-3H3,(H,19,20).
What are the key properties of 3-amino-N-(2-ethoxy-5-methylphenyl)-4-methoxybenzamide?
3-amino-N-(2-ethoxy-5-methylphenyl)-4-methoxybenzamide has a molecular weight of 300.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-ethoxy-5-methylphenyl)-4-methoxybenzamide is sourced from PubChem (CID 91684337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).