N-(5-amino-2-methylphenyl)-3,4,5-triethoxybenzamide;hydrochloride

C20H27ClN2O4 — CID 120569013

IUPACN-(5-amino-2-methylphenyl)-3,4,5-triethoxybenzamide;hydrochloride
SMILESCCOc1cc(C(=O)Nc2cc(N)ccc2C)cc(OCC)c1OCC.Cl
InChIInChI=1S/C20H26N2O4.ClH/c1-5-24-17-10-14(11-18(25-6-2)19(17)26-7-3)20(23)22-16-12-15(21)9-8-13(16)4;/h8-12H,5-7,21H2,1-4H3,(H,22,23);1H
InChIKeyIKJBTNNVOKPXFL-UHFFFAOYSA-N
MW394.90 g/mol
LogP4.45
Rot. Bonds8

About N-(5-amino-2-methylphenyl)-3,4,5-triethoxybenzamide;hydrochloride

N-(5-amino-2-methylphenyl)-3,4,5-triethoxybenzamide;hydrochloride (PubChem CID 120569013) has the molecular formula C20H27ClN2O4 and a molecular weight of 394.90 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3,4,5-triethoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3,4,5-triethoxybenzamide;hydrochloride
PubChem CID120569013
Molecular FormulaC20H27ClN2O4
Molecular Weight394.90 g/mol
Exact Mass394.17
IUPAC NameN-(5-amino-2-methylphenyl)-3,4,5-triethoxybenzamide;hydrochloride
SMILESCCOc1cc(C(=O)Nc2cc(N)ccc2C)cc(OCC)c1OCC.Cl
InChIInChI=1S/C20H26N2O4.ClH/c1-5-24-17-10-14(11-18(25-6-2)19(17)26-7-3)20(23)22-16-12-15(21)9-8-13(16)4;/h8-12H,5-7,21H2,1-4H3,(H,22,23);1H
InChIKeyIKJBTNNVOKPXFL-UHFFFAOYSA-N
XLogP4.45
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(5-amino-2-methylphenyl)-3,4,5-triethoxybenzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-amino-2-methoxyphenyl)-3,4,5-triethoxybenzamide
CID 16774665
N-(5-amino-2-fluorophenyl)-3,4,5-triethoxybenzamide
CID 16778120
N-(5-amino-2-methylphenyl)-4-(2-ethoxyethoxy)benzamide
CID 22291090
N-(2,3-dimethylphenyl)-3,4,5-triethoxybenzamide
CID 1219709
N-(5-amino-2-methylphenyl)-3,4-dipropoxybenzamide
CID 120569287
N-(5-amino-2-methylphenyl)-4-hydroxybenzamide
CID 22291140
N-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-propoxybenzamide
CID 120568311
N-(5-amino-2-methylphenyl)-3,5-dimethoxybenzamide
CID 16778250
N-(5-amino-2-methylphenyl)-4-butoxy-3-chloro-5-methoxybenzamide
CID 120569162
1-(2,5-dimethylphenyl)-3-[(3,4,5-triethoxybenzoyl)amino]thiourea
CID 1494458
3,4,5-triethoxy-N-(2-fluoro-4-methylphenyl)benzamide
CID 26663505
N-(5-amino-2-methylphenyl)-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide;hydrochloride
CID 120569046

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3,4,5-triethoxybenzamide;hydrochloride?
The IUPAC name of N-(5-amino-2-methylphenyl)-3,4,5-triethoxybenzamide;hydrochloride (CID 120569013) is N-(5-amino-2-methylphenyl)-3,4,5-triethoxybenzamide;hydrochloride.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3,4,5-triethoxybenzamide;hydrochloride?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3,4,5-triethoxybenzamide;hydrochloride is CCOc1cc(C(=O)Nc2cc(N)ccc2C)cc(OCC)c1OCC.Cl.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3,4,5-triethoxybenzamide;hydrochloride?
The InChIKey is IKJBTNNVOKPXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4.ClH/c1-5-24-17-10-14(11-18(25-6-2)19(17)26-7-3)20(23)22-16-12-15(21)9-8-13(16)4;/h8-12H,5-7,21H2,1-4H3,(H,22,23);1H.
What are the key properties of N-(5-amino-2-methylphenyl)-3,4,5-triethoxybenzamide;hydrochloride?
N-(5-amino-2-methylphenyl)-3,4,5-triethoxybenzamide;hydrochloride has a molecular weight of 394.90 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-3,4,5-triethoxybenzamide;hydrochloride is sourced from PubChem (CID 120569013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).