3-amino-N-[2-(ethoxymethyl)phenyl]-4-methylbenzamide

C17H20N2O2 — CID 43695797

IUPAC3-amino-N-[2-(ethoxymethyl)phenyl]-4-methylbenzamide
SMILESCCOCc1ccccc1NC(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C17H20N2O2/c1-3-21-11-14-6-4-5-7-16(14)19-17(20)13-9-8-12(2)15(18)10-13/h4-10H,3,11,18H2,1-2H3,(H,19,20)
InChIKeyKQBSDCOUILIJQD-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.37
Rot. Bonds5

About 3-amino-N-[2-(ethoxymethyl)phenyl]-4-methylbenzamide

3-amino-N-[2-(ethoxymethyl)phenyl]-4-methylbenzamide (PubChem CID 43695797) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-amino-N-[2-(ethoxymethyl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[2-(ethoxymethyl)phenyl]-4-methylbenzamide
PubChem CID43695797
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-amino-N-[2-(ethoxymethyl)phenyl]-4-methylbenzamide
SMILESCCOCc1ccccc1NC(=O)c1ccc(C)c(N)c1
InChIInChI=1S/C17H20N2O2/c1-3-21-11-14-6-4-5-7-16(14)19-17(20)13-9-8-12(2)15(18)10-13/h4-10H,3,11,18H2,1-2H3,(H,19,20)
InChIKeyKQBSDCOUILIJQD-UHFFFAOYSA-N
XLogP3.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethoxymethyl)phenyl]-3,4-dimethylbenzamide
CID 86821684
4-amino-N-[2-(methoxymethyl)phenyl]-3-methylbenzamide
CID 43701008
N-[2-(ethoxymethyl)phenyl]-2,4-dimethylbenzamide
CID 86821681
N-(2-acetylphenyl)-3-amino-4-methylbenzamide
CID 110488218
3-(chloromethyl)-N-[2-(ethoxymethyl)phenyl]benzamide
CID 43695560
3-bromo-N-[2-(methoxymethyl)phenyl]-4-methylbenzamide
CID 79467282
N-(2-ethylphenyl)-3-methoxy-4-methylbenzamide
CID 16620352
4-amino-N-[2-(ethoxymethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 62685947
4-(difluoromethylsulfonyl)-N-[2-(ethoxymethyl)phenyl]benzamide
CID 86821736
3-amino-4-chloro-N-(2-propylphenyl)benzamide
CID 43703947
N-[2-(ethoxymethyl)phenyl]-2-fluoro-5-methylbenzamide
CID 62511294
N-[2-(ethoxymethyl)phenyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide
CID 86836535

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(ethoxymethyl)phenyl]-4-methylbenzamide?
The IUPAC name of 3-amino-N-[2-(ethoxymethyl)phenyl]-4-methylbenzamide (CID 43695797) is 3-amino-N-[2-(ethoxymethyl)phenyl]-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-[2-(ethoxymethyl)phenyl]-4-methylbenzamide?
The canonical SMILES for 3-amino-N-[2-(ethoxymethyl)phenyl]-4-methylbenzamide is CCOCc1ccccc1NC(=O)c1ccc(C)c(N)c1.
What is the InChIKey of 3-amino-N-[2-(ethoxymethyl)phenyl]-4-methylbenzamide?
The InChIKey is KQBSDCOUILIJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-21-11-14-6-4-5-7-16(14)19-17(20)13-9-8-12(2)15(18)10-13/h4-10H,3,11,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-N-[2-(ethoxymethyl)phenyl]-4-methylbenzamide?
3-amino-N-[2-(ethoxymethyl)phenyl]-4-methylbenzamide has a molecular weight of 284.36 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(ethoxymethyl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 43695797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).