2-[[2-(2,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide

C29H33FN2O2 — CID 132614113

IUPAC2-[[2-(2,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide
SMILESCCCNC(=O)C(Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1cc(C)ccc1C
InChIInChI=1S/C29H33FN2O2/c1-4-16-31-29(34)27(18-23-10-6-5-7-11-23)32(20-24-12-8-9-13-26(24)30)28(33)19-25-17-21(2)14-15-22(25)3/h5-15,17,27H,4,16,18-20H2,1-3H3,(H,31,34)
InChIKeyKJSCSPFJCBNDMZ-UHFFFAOYSA-N
MW460.59 g/mol
LogP5.15
Rot. Bonds10

About 2-[[2-(2,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide

2-[[2-(2,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide (PubChem CID 132614113) has the molecular formula C29H33FN2O2 and a molecular weight of 460.59 g/mol. Its IUPAC name is 2-[[2-(2,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide.

Molecular Properties

Compound Name2-[[2-(2,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide
PubChem CID132614113
Molecular FormulaC29H33FN2O2
Molecular Weight460.59 g/mol
Exact Mass460.25
IUPAC Name2-[[2-(2,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide
SMILESCCCNC(=O)C(Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1cc(C)ccc1C
InChIInChI=1S/C29H33FN2O2/c1-4-16-31-29(34)27(18-23-10-6-5-7-11-23)32(20-24-12-8-9-13-26(24)30)28(33)19-25-17-21(2)14-15-22(25)3/h5-15,17,27H,4,16,18-20H2,1-3H3,(H,31,34)
InChIKeyKJSCSPFJCBNDMZ-UHFFFAOYSA-N
XLogP5.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.59
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-3-phenyl-N-propylpropanamide
CID 132616306
2-[[2-(3-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 132611964
(2S)-N-butyl-2-[[2-(2,5-dimethylphenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-3-phenylpropanamide
CID 100660806
2-[[2-(2,4-dichlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 132619517
2-[3,3-diphenylpropanoyl-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 132622469
N-butyl-2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
CID 133231748
2-[[2-(4-methylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 132611969
N-ethyl-2-[[2-(2-fluorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 132610892
(2S)-2-[(4-bromophenyl)methyl-[2-(2,5-dimethylphenyl)acetyl]amino]-N-butyl-3-phenylpropanamide
CID 100678875
2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 132620726
2-[(2-benzylsulfanylacetyl)-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 132616497
2-[[2-(3,4-dimethylphenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 132614116

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide?
The IUPAC name of 2-[[2-(2,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide (CID 132614113) is 2-[[2-(2,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide.
What is the SMILES notation for 2-[[2-(2,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide?
The canonical SMILES for 2-[[2-(2,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide is CCCNC(=O)C(Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1cc(C)ccc1C.
What is the InChIKey of 2-[[2-(2,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide?
The InChIKey is KJSCSPFJCBNDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN2O2/c1-4-16-31-29(34)27(18-23-10-6-5-7-11-23)32(20-24-12-8-9-13-26(24)30)28(33)19-25-17-21(2)14-15-22(25)3/h5-15,17,27H,4,16,18-20H2,1-3H3,(H,31,34).
What are the key properties of 2-[[2-(2,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide?
2-[[2-(2,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide has a molecular weight of 460.59 g/mol, XLogP of 5.15, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenyl-N-propylpropanamide is sourced from PubChem (CID 132614113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).