2-(3-methylanilino)-N-[3-(3-phenylpropoxy)phenyl]acetamide

C24H26N2O2 — CID 54810854

IUPAC2-(3-methylanilino)-N-[3-(3-phenylpropoxy)phenyl]acetamide
SMILESCc1cccc(NCC(=O)Nc2cccc(OCCCc3ccccc3)c2)c1
InChIInChI=1S/C24H26N2O2/c1-19-8-5-12-21(16-19)25-18-24(27)26-22-13-6-14-23(17-22)28-15-7-11-20-9-3-2-4-10-20/h2-6,8-10,12-14,16-17,25H,7,11,15,18H2,1H3,(H,26,27)
InChIKeyCFRHBGYRIJQYOZ-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.06
Rot. Bonds9

About 2-(3-methylanilino)-N-[3-(3-phenylpropoxy)phenyl]acetamide

2-(3-methylanilino)-N-[3-(3-phenylpropoxy)phenyl]acetamide (PubChem CID 54810854) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-(3-methylanilino)-N-[3-(3-phenylpropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methylanilino)-N-[3-(3-phenylpropoxy)phenyl]acetamide
PubChem CID54810854
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name2-(3-methylanilino)-N-[3-(3-phenylpropoxy)phenyl]acetamide
SMILESCc1cccc(NCC(=O)Nc2cccc(OCCCc3ccccc3)c2)c1
InChIInChI=1S/C24H26N2O2/c1-19-8-5-12-21(16-19)25-18-24(27)26-22-13-6-14-23(17-22)28-15-7-11-20-9-3-2-4-10-20/h2-6,8-10,12-14,16-17,25H,7,11,15,18H2,1H3,(H,26,27)
InChIKeyCFRHBGYRIJQYOZ-UHFFFAOYSA-N
XLogP5.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-methylanilino)-N-[3-(3-phenylpropoxy)phenyl]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-(3-hexoxyphenyl)-2-[3-(3-phenylpropoxy)anilino]acetamide
CID 54827901
N-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54827369
2-methyl-N-[3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54831793
N-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54827335
methyl 4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]benzoate
CID 54828126
2-[4-(2-methylpropoxy)anilino]-N-[3-(3-phenylpropoxy)phenyl]acetamide
CID 54820471
N-(2-methoxyethyl)-3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]benzamide
CID 54836169
N-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837399
2-[3-(2-phenoxyethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54826045
2-[3-(2-ethoxyethoxy)anilino]-N-[3-(2-phenylethoxy)phenyl]acetamide
CID 54827361
3-phenyl-N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide
CID 54825190
N-[3-[[2-[3-(2-methoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54829756

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylanilino)-N-[3-(3-phenylpropoxy)phenyl]acetamide?
The IUPAC name of 2-(3-methylanilino)-N-[3-(3-phenylpropoxy)phenyl]acetamide (CID 54810854) is 2-(3-methylanilino)-N-[3-(3-phenylpropoxy)phenyl]acetamide.
What is the SMILES notation for 2-(3-methylanilino)-N-[3-(3-phenylpropoxy)phenyl]acetamide?
The canonical SMILES for 2-(3-methylanilino)-N-[3-(3-phenylpropoxy)phenyl]acetamide is Cc1cccc(NCC(=O)Nc2cccc(OCCCc3ccccc3)c2)c1.
What is the InChIKey of 2-(3-methylanilino)-N-[3-(3-phenylpropoxy)phenyl]acetamide?
The InChIKey is CFRHBGYRIJQYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-19-8-5-12-21(16-19)25-18-24(27)26-22-13-6-14-23(17-22)28-15-7-11-20-9-3-2-4-10-20/h2-6,8-10,12-14,16-17,25H,7,11,15,18H2,1H3,(H,26,27).
What are the key properties of 2-(3-methylanilino)-N-[3-(3-phenylpropoxy)phenyl]acetamide?
2-(3-methylanilino)-N-[3-(3-phenylpropoxy)phenyl]acetamide has a molecular weight of 374.48 g/mol, XLogP of 5.06, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylanilino)-N-[3-(3-phenylpropoxy)phenyl]acetamide is sourced from PubChem (CID 54810854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).