2-[[2-(4-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide

C29H33FN2O3 — CID 133233159

IUPAC2-[[2-(4-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
SMILESCc1cccc(CN(C(=O)COc2ccc(F)cc2)C(Cc2ccccc2)C(=O)NCC(C)C)c1
InChIInChI=1S/C29H33FN2O3/c1-21(2)18-31-29(34)27(17-23-9-5-4-6-10-23)32(19-24-11-7-8-22(3)16-24)28(33)20-35-26-14-12-25(30)13-15-26/h4-16,21,27H,17-20H2,1-3H3,(H,31,34)
InChIKeyPAWNYFDZUWOSRS-UHFFFAOYSA-N
MW476.59 g/mol
LogP4.93
Rot. Bonds11

About 2-[[2-(4-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide

2-[[2-(4-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide (PubChem CID 133233159) has the molecular formula C29H33FN2O3 and a molecular weight of 476.59 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-[[2-(4-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
PubChem CID133233159
Molecular FormulaC29H33FN2O3
Molecular Weight476.59 g/mol
Exact Mass476.25
IUPAC Name2-[[2-(4-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
SMILESCc1cccc(CN(C(=O)COc2ccc(F)cc2)C(Cc2ccccc2)C(=O)NCC(C)C)c1
InChIInChI=1S/C29H33FN2O3/c1-21(2)18-31-29(34)27(17-23-9-5-4-6-10-23)32(19-24-11-7-8-22(3)16-24)28(33)20-35-26-14-12-25(30)13-15-26/h4-16,21,27H,17-20H2,1-3H3,(H,31,34)
InChIKeyPAWNYFDZUWOSRS-UHFFFAOYSA-N
XLogP4.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.59
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(4-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-(2-methylpropyl)-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

(2R)-2-[(3-methylphenyl)methyl-(2-phenoxyacetyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 100745833
(2S)-2-[benzyl-[2-(4-fluorophenoxy)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 100741772
2-[benzyl-[2-(4-fluorophenoxy)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133212225
2-[[2-(4-fluorophenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133172875
2-[[2-(4-ethylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133172805
2-[(4-fluorophenyl)methyl-[2-(3-methylphenoxy)acetyl]amino]-3-phenyl-N-propylpropanamide
CID 132614376
N-ethyl-2-[[2-(4-methoxyphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 132614086
N-methyl-2-[(3-methylphenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-3-phenylpropanamide
CID 132613852
N-ethyl-2-[[2-(3-methylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 132612194
(2R)-2-[benzyl-[2-(4-bromophenoxy)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 100740420
(2R)-2-[benzyl-[2-(4-fluorophenoxy)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 100665126
(2S)-2-[[2-(3-methylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 100745590

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide?
The IUPAC name of 2-[[2-(4-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide (CID 133233159) is 2-[[2-(4-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide.
What is the SMILES notation for 2-[[2-(4-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide?
The canonical SMILES for 2-[[2-(4-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide is Cc1cccc(CN(C(=O)COc2ccc(F)cc2)C(Cc2ccccc2)C(=O)NCC(C)C)c1.
What is the InChIKey of 2-[[2-(4-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide?
The InChIKey is PAWNYFDZUWOSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN2O3/c1-21(2)18-31-29(34)27(17-23-9-5-4-6-10-23)32(19-24-11-7-8-22(3)16-24)28(33)20-35-26-14-12-25(30)13-15-26/h4-16,21,27H,17-20H2,1-3H3,(H,31,34).
What are the key properties of 2-[[2-(4-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide?
2-[[2-(4-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide has a molecular weight of 476.59 g/mol, XLogP of 4.93, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide is sourced from PubChem (CID 133233159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).