2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide

C18H22N2O3 — CID 119944526

IUPAC2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide
SMILESCCOCCOCc1cccc(NC(=O)c2ccccc2N)c1
InChIInChI=1S/C18H22N2O3/c1-2-22-10-11-23-13-14-6-5-7-15(12-14)20-18(21)16-8-3-4-9-17(16)19/h3-9,12H,2,10-11,13,19H2,1H3,(H,20,21)
InChIKeyWEJNYPGMCUNJDZ-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.07
Rot. Bonds8

About 2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide

2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide (PubChem CID 119944526) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide
PubChem CID119944526
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide
SMILESCCOCCOCc1cccc(NC(=O)c2ccccc2N)c1
InChIInChI=1S/C18H22N2O3/c1-2-22-10-11-23-13-14-6-5-7-15(12-14)20-18(21)16-8-3-4-9-17(16)19/h3-9,12H,2,10-11,13,19H2,1H3,(H,20,21)
InChIKeyWEJNYPGMCUNJDZ-UHFFFAOYSA-N
XLogP3.07
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide;hydrochloride
CID 119944525
2-(4-chlorobenzoyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide
CID 55932677
4-amino-5-chloro-N-[3-(2-ethoxyethoxymethyl)phenyl]-2-methoxybenzamide;hydrochloride
CID 119722929
N-[3-(2-ethoxyethoxymethyl)phenyl]-4-methylsulfanylbenzamide
CID 78891809
N-[3-(2-ethoxyethoxymethyl)phenyl]quinoxaline-2-carboxamide
CID 55807023
4-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]butanamide;hydrochloride
CID 119289103
2-amino-N-(3-hydroxyphenyl)benzamide
CID 3596059
N-[3-(2-ethoxyethoxymethyl)phenyl]-2-ethyl-1,3-thiazole-5-carboxamide
CID 48578355
2-(2-ethoxyethoxy)-N-[3-(propanoylamino)phenyl]benzamide
CID 17188354
2-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]benzamide;hydrochloride
CID 119945428
2-(2-ethoxyethoxy)-N-(3-methoxyphenyl)benzamide
CID 17122713
N-[3-(2-ethoxyethoxymethyl)phenyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 55806762

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide?
The IUPAC name of 2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide (CID 119944526) is 2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide.
What is the SMILES notation for 2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide?
The canonical SMILES for 2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide is CCOCCOCc1cccc(NC(=O)c2ccccc2N)c1.
What is the InChIKey of 2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide?
The InChIKey is WEJNYPGMCUNJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-2-22-10-11-23-13-14-6-5-7-15(12-14)20-18(21)16-8-3-4-9-17(16)19/h3-9,12H,2,10-11,13,19H2,1H3,(H,20,21).
What are the key properties of 2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide?
2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide has a molecular weight of 314.39 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide is sourced from PubChem (CID 119944526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).