N-ethyl-2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide

C27H29FN2O2 — CID 132610894

IUPACN-ethyl-2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide
SMILESCCNC(=O)C(Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C27H29FN2O2/c1-3-29-27(32)25(17-21-10-5-4-6-11-21)30(19-23-12-8-7-9-20(23)2)26(31)18-22-13-15-24(28)16-14-22/h4-16,25H,3,17-19H2,1-2H3,(H,29,32)
InChIKeyBFXNKUMDHFVISK-UHFFFAOYSA-N
MW432.54 g/mol
LogP4.45
Rot. Bonds9

About N-ethyl-2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide

N-ethyl-2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide (PubChem CID 132610894) has the molecular formula C27H29FN2O2 and a molecular weight of 432.54 g/mol. Its IUPAC name is N-ethyl-2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-ethyl-2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide
PubChem CID132610894
Molecular FormulaC27H29FN2O2
Molecular Weight432.54 g/mol
Exact Mass432.22
IUPAC NameN-ethyl-2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide
SMILESCCNC(=O)C(Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C27H29FN2O2/c1-3-29-27(32)25(17-21-10-5-4-6-11-21)30(19-23-12-8-7-9-20(23)2)26(31)18-22-13-15-24(28)16-14-22/h4-16,25H,3,17-19H2,1-2H3,(H,29,32)
InChIKeyBFXNKUMDHFVISK-UHFFFAOYSA-N
XLogP4.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-3-phenylpropanamide
CID 132610904
N-ethyl-2-[[2-(2-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 132610596
N-ethyl-2-[[2-(N-(4-fluorophenyl)sulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 132633295
2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132657947
2-[[2-(3,4-dichlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
CID 132617721
2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 132614116
N-ethyl-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 132610905
2-[[2-(4-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133171180
N-ethyl-2-[(2-methylphenyl)methyl-[2-(N-methylsulfonylanilino)acetyl]amino]-3-phenylpropanamide
CID 132620413
2-[[2-(2-tert-butylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
CID 132617596
N-(3-ethoxypropyl)-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
CID 133215163
(2R)-N-butyl-2-[[2-(2-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 100591442

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide?
The IUPAC name of N-ethyl-2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide (CID 132610894) is N-ethyl-2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide.
What is the SMILES notation for N-ethyl-2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide?
The canonical SMILES for N-ethyl-2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide is CCNC(=O)C(Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-ethyl-2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide?
The InChIKey is BFXNKUMDHFVISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O2/c1-3-29-27(32)25(17-21-10-5-4-6-11-21)30(19-23-12-8-7-9-20(23)2)26(31)18-22-13-15-24(28)16-14-22/h4-16,25H,3,17-19H2,1-2H3,(H,29,32).
What are the key properties of N-ethyl-2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide?
N-ethyl-2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide has a molecular weight of 432.54 g/mol, XLogP of 4.45, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[2-(4-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenylpropanamide is sourced from PubChem (CID 132610894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).