N-[2-(4-amino-3-methylphenoxy)ethyl]-2-methylbenzamide

C17H20N2O2 — CID 39384704

IUPACN-[2-(4-amino-3-methylphenoxy)ethyl]-2-methylbenzamide
SMILESCc1cc(OCCNC(=O)c2ccccc2C)ccc1N
InChIInChI=1S/C17H20N2O2/c1-12-5-3-4-6-15(12)17(20)19-9-10-21-14-7-8-16(18)13(2)11-14/h3-8,11H,9-10,18H2,1-2H3,(H,19,20)
InChIKeyCNMFNLBDSMQABG-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.69
Rot. Bonds5

About N-[2-(4-amino-3-methylphenoxy)ethyl]-2-methylbenzamide

N-[2-(4-amino-3-methylphenoxy)ethyl]-2-methylbenzamide (PubChem CID 39384704) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[2-(4-amino-3-methylphenoxy)ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-amino-3-methylphenoxy)ethyl]-2-methylbenzamide
PubChem CID39384704
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[2-(4-amino-3-methylphenoxy)ethyl]-2-methylbenzamide
SMILESCc1cc(OCCNC(=O)c2ccccc2C)ccc1N
InChIInChI=1S/C17H20N2O2/c1-12-5-3-4-6-15(12)17(20)19-9-10-21-14-7-8-16(18)13(2)11-14/h3-8,11H,9-10,18H2,1-2H3,(H,19,20)
InChIKeyCNMFNLBDSMQABG-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(4-amino-3-methylphenoxy)ethyl]-2-methylbenzamide 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

2-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]benzamide
CID 113101544
N-[3-[2-(4-ethoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8530728
N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8935922
2-(4-chlorophenoxy)ethyl 3-[(2-methylbenzoyl)amino]propanoate
CID 32510530
2,4-dimethyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 27823691
N-[2-(4-amino-3-methylphenoxy)ethyl]cyclohexanecarboxamide
CID 39375555
ethyl N-[2-[4-(2-methylbenzoyl)phenoxy]ethyl]carbamate
CID 54333004
2-methyl-4-[2-(2-methylphenoxy)ethoxy]aniline
CID 39359285
N-[2-(4-fluorophenoxy)ethyl]-2,3-dimethylbenzamide
CID 37362583
2-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108541769
2-amino-5-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide
CID 79756137
2-bromo-N-[2-(3-bromophenoxy)ethyl]benzamide
CID 113099636

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-3-methylphenoxy)ethyl]-2-methylbenzamide?
The IUPAC name of N-[2-(4-amino-3-methylphenoxy)ethyl]-2-methylbenzamide (CID 39384704) is N-[2-(4-amino-3-methylphenoxy)ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-(4-amino-3-methylphenoxy)ethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-(4-amino-3-methylphenoxy)ethyl]-2-methylbenzamide is Cc1cc(OCCNC(=O)c2ccccc2C)ccc1N.
What is the InChIKey of N-[2-(4-amino-3-methylphenoxy)ethyl]-2-methylbenzamide?
The InChIKey is CNMFNLBDSMQABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-5-3-4-6-15(12)17(20)19-9-10-21-14-7-8-16(18)13(2)11-14/h3-8,11H,9-10,18H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(4-amino-3-methylphenoxy)ethyl]-2-methylbenzamide?
N-[2-(4-amino-3-methylphenoxy)ethyl]-2-methylbenzamide has a molecular weight of 284.36 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-3-methylphenoxy)ethyl]-2-methylbenzamide is sourced from PubChem (CID 39384704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).