3-acetamido-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide

C26H27N3O5 — CID 55888374

IUPAC3-acetamido-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide
SMILESCOc1ccccc1OCC(=O)Nc1cccc(NC(=O)CC(NC(C)=O)c2ccccc2)c1
InChIInChI=1S/C26H27N3O5/c1-18(30)27-22(19-9-4-3-5-10-19)16-25(31)28-20-11-8-12-21(15-20)29-26(32)17-34-24-14-7-6-13-23(24)33-2/h3-15,22H,16-17H2,1-2H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyPUJMJHAXYJGCAQ-UHFFFAOYSA-N
MW461.52 g/mol
LogP3.92
Rot. Bonds10

About 3-acetamido-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide

3-acetamido-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide (PubChem CID 55888374) has the molecular formula C26H27N3O5 and a molecular weight of 461.52 g/mol. Its IUPAC name is 3-acetamido-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide
PubChem CID55888374
Molecular FormulaC26H27N3O5
Molecular Weight461.52 g/mol
Exact Mass461.20
IUPAC Name3-acetamido-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide
SMILESCOc1ccccc1OCC(=O)Nc1cccc(NC(=O)CC(NC(C)=O)c2ccccc2)c1
InChIInChI=1S/C26H27N3O5/c1-18(30)27-22(19-9-4-3-5-10-19)16-25(31)28-20-11-8-12-21(15-20)29-26(32)17-34-24-14-7-6-13-23(24)33-2/h3-15,22H,16-17H2,1-2H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyPUJMJHAXYJGCAQ-UHFFFAOYSA-N
XLogP3.92
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-acetamido-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide 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-[(3-acetamido-3-phenylpropanoyl)amino]phenyl]butanamide
CID 87026147
(3S)-3-acetamido-N-(3-methylphenyl)-3-phenylpropanamide
CID 8713924
(3S)-3-acetamido-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 41075346
3-acetamido-N-(3-methoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 78805825
3-acetamido-N-(3-bromophenyl)-3-phenylpropanamide
CID 22107830
(3R)-3-acetamido-N-(4-methoxy-3-sulfamoylphenyl)-3-phenylpropanamide
CID 7999988
(3R)-3-acetamido-N-(3,4-dimethylphenyl)-3-phenylpropanamide
CID 8743897
methyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate
CID 18121206
ethyl 3-[(3-acetamido-3-phenylpropanoyl)amino]benzoate
CID 55394890
N-[(1R)-3-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 7999402
3-acetamido-N-[3-[(dimethylamino)methyl]phenyl]-3-phenylpropanamide
CID 86931913
3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 24638755

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide?
The IUPAC name of 3-acetamido-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide (CID 55888374) is 3-acetamido-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide.
What is the SMILES notation for 3-acetamido-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide?
The canonical SMILES for 3-acetamido-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide is COc1ccccc1OCC(=O)Nc1cccc(NC(=O)CC(NC(C)=O)c2ccccc2)c1.
What is the InChIKey of 3-acetamido-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide?
The InChIKey is PUJMJHAXYJGCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5/c1-18(30)27-22(19-9-4-3-5-10-19)16-25(31)28-20-11-8-12-21(15-20)29-26(32)17-34-24-14-7-6-13-23(24)33-2/h3-15,22H,16-17H2,1-2H3,(H,27,30)(H,28,31)(H,29,32).
What are the key properties of 3-acetamido-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide?
3-acetamido-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide has a molecular weight of 461.52 g/mol, XLogP of 3.92, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 55888374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).