N-[2-(4-aminophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide

C19H24N2O2 — CID 119548920

IUPACN-[2-(4-aminophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)NCCc2ccc(N)cc2)c(C)c1
InChIInChI=1S/C19H24N2O2/c1-13-10-14(2)19(15(3)11-13)23-12-18(22)21-9-8-16-4-6-17(20)7-5-16/h4-7,10-11H,8-9,12,20H2,1-3H3,(H,21,22)
InChIKeyDZRVXDUJDBGBFU-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.93
Rot. Bonds6

About N-[2-(4-aminophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide

N-[2-(4-aminophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide (PubChem CID 119548920) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide
PubChem CID119548920
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[2-(4-aminophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)NCCc2ccc(N)cc2)c(C)c1
InChIInChI=1S/C19H24N2O2/c1-13-10-14(2)19(15(3)11-13)23-12-18(22)21-9-8-16-4-6-17(20)7-5-16/h4-7,10-11H,8-9,12,20H2,1-3H3,(H,21,22)
InChIKeyDZRVXDUJDBGBFU-UHFFFAOYSA-N
XLogP2.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[2-(4-aminophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide 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-[2-(4-aminophenyl)ethyl]-2-(2,4-dimethylphenoxy)acetamide;hydrochloride
CID 119548927
N-[2-(4-aminophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 39384693
N-(3-phenylpropyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 112978152
N-[2-(4-aminophenyl)ethyl]-3-(3,5-dimethylphenoxy)propanamide
CID 119548986
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 9405530
N-[2-(4-aminophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 119548058
3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]propanoic acid
CID 43092392
N-[2-(4-chlorophenyl)ethyl]-2-(4-formyl-2,6-dimethylphenoxy)acetamide
CID 7696214
2-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N-(2-methoxyethyl)acetamide
CID 61485623
2-(2-amino-4,6-dimethylphenoxy)-N-(2-methoxyethyl)acetamide
CID 62098346
N-(2-amino-2-methylpropyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 119628968
2-hydroxy-4-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]butanoic acid
CID 107831855

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide (CID 119548920) is N-[2-(4-aminophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide is Cc1cc(C)c(OCC(=O)NCCc2ccc(N)cc2)c(C)c1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide?
The InChIKey is DZRVXDUJDBGBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13-10-14(2)19(15(3)11-13)23-12-18(22)21-9-8-16-4-6-17(20)7-5-16/h4-7,10-11H,8-9,12,20H2,1-3H3,(H,21,22).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide?
N-[2-(4-aminophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide has a molecular weight of 312.41 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide is sourced from PubChem (CID 119548920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).