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

C18H23ClN2O3 — CID 119944525

IUPAC2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide;hydrochloride
SMILESCCOCCOCc1cccc(NC(=O)c2ccccc2N)c1.Cl
InChIInChI=1S/C18H22N2O3.ClH/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);1H
InChIKeyVYDWLDHEMACUNQ-UHFFFAOYSA-N
MW350.85 g/mol
LogP3.50
Rot. Bonds8

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

2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide;hydrochloride (PubChem CID 119944525) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is 2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide;hydrochloride
PubChem CID119944525
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC Name2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide;hydrochloride
SMILESCCOCCOCc1cccc(NC(=O)c2ccccc2N)c1.Cl
InChIInChI=1S/C18H22N2O3.ClH/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);1H
InChIKeyVYDWLDHEMACUNQ-UHFFFAOYSA-N
XLogP3.50
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 53.50
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
CID 119944526
4-amino-5-chloro-N-[3-(2-ethoxyethoxymethyl)phenyl]-2-methoxybenzamide;hydrochloride
CID 119722929
2-(4-chlorobenzoyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide
CID 55932677
4-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]butanamide;hydrochloride
CID 119289103
N-[3-(2-ethoxyethoxymethyl)phenyl]-4-methylsulfanylbenzamide
CID 78891809
N-[3-(2-ethoxyethoxymethyl)phenyl]quinoxaline-2-carboxamide
CID 55807023
2-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]benzamide;hydrochloride
CID 119945428
2-amino-N-(3-hydroxyphenyl)benzamide
CID 3596059
2-(2-aminoethyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120622317
3-amino-2-methoxy-N-[3-(2-methoxyethoxymethyl)phenyl]propanamide
CID 106111842
N-[3-(2-ethoxyethoxymethyl)phenyl]-2-ethyl-1,3-thiazole-5-carboxamide
CID 48578355
2-(2-ethoxyethoxy)-N-[3-(propanoylamino)phenyl]benzamide
CID 17188354

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide;hydrochloride (CID 119944525) is 2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide;hydrochloride is CCOCCOCc1cccc(NC(=O)c2ccccc2N)c1.Cl.
What is the InChIKey of 2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide;hydrochloride?
The InChIKey is VYDWLDHEMACUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3.ClH/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);1H.
What are the key properties of 2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide;hydrochloride?
2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 3.50, 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;hydrochloride is sourced from PubChem (CID 119944525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).