(2R)-N-cyclohexyl-2-[3,3-diphenylpropanoyl-[(2-fluorophenyl)methyl]amino]-3-phenylpropanamide

C37H39FN2O2 — CID 100610495

IUPAC(2R)-N-cyclohexyl-2-[3,3-diphenylpropanoyl-[(2-fluorophenyl)methyl]amino]-3-phenylpropanamide
SMILESO=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H39FN2O2/c38-34-24-14-13-21-31(34)27-40(36(41)26-33(29-17-7-2-8-18-29)30-19-9-3-10-20-30)35(25-28-15-5-1-6-16-28)37(42)39-32-22-11-4-12-23-32/h1-3,5-10,13-21,24,32-33,35H,4,11-12,22-23,25-27H2,(H,39,42)/t35-/m1/s1
InChIKeyZNYAPAZKWSLRNZ-PGUFJCEWSA-N
MW562.73 g/mol
LogP7.44
Rot. Bonds11

About (2R)-N-cyclohexyl-2-[3,3-diphenylpropanoyl-[(2-fluorophenyl)methyl]amino]-3-phenylpropanamide

(2R)-N-cyclohexyl-2-[3,3-diphenylpropanoyl-[(2-fluorophenyl)methyl]amino]-3-phenylpropanamide (PubChem CID 100610495) has the molecular formula C37H39FN2O2 and a molecular weight of 562.73 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-[3,3-diphenylpropanoyl-[(2-fluorophenyl)methyl]amino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-[3,3-diphenylpropanoyl-[(2-fluorophenyl)methyl]amino]-3-phenylpropanamide
PubChem CID100610495
Molecular FormulaC37H39FN2O2
Molecular Weight562.73 g/mol
Exact Mass562.30
IUPAC Name(2R)-N-cyclohexyl-2-[3,3-diphenylpropanoyl-[(2-fluorophenyl)methyl]amino]-3-phenylpropanamide
SMILESO=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H39FN2O2/c38-34-24-14-13-21-31(34)27-40(36(41)26-33(29-17-7-2-8-18-29)30-19-9-3-10-20-30)35(25-28-15-5-1-6-16-28)37(42)39-32-22-11-4-12-23-32/h1-3,5-10,13-21,24,32-33,35H,4,11-12,22-23,25-27H2,(H,39,42)/t35-/m1/s1
InChIKeyZNYAPAZKWSLRNZ-PGUFJCEWSA-N
XLogP7.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.73
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-cyclohexyl-2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
CID 100606439
(2S)-N-cyclopentyl-2-[[2-(2-fluorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenylpropanamide
CID 100513743
N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-N-[(2-fluorophenyl)methyl]butanamide
CID 100612281
(2S)-N-cyclopentyl-2-[[2-(4-fluorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenylpropanamide
CID 100513550
N-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(2-fluorophenyl)methyl]-3,3-diphenylpropanamide
CID 100558309
(2R)-N-cyclopentyl-2-[(2-fluorophenyl)methyl-(2-phenylsulfanylacetyl)amino]-3-phenylpropanamide
CID 100508994
(2R)-N-cyclohexyl-2-[(2,4-dichlorophenyl)methyl-(3,3-diphenylpropanoyl)amino]-3-phenylpropanamide
CID 100647407
N-cyclohexyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-3-phenylpropanamide
CID 133252456
2-[[2-(3-chlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 133177278
(2R)-N-cyclopentyl-2-[(2-fluorophenyl)methyl-[2-[(2-fluorophenyl)methylsulfanyl]acetyl]amino]-3-phenylpropanamide
CID 100513274
2-[3,3-diphenylpropanoyl-[(2-fluorophenyl)methyl]amino]-N-methyl-3-phenylpropanamide
CID 132618619
(2S)-2-[3-(2-chlorophenyl)propanoyl-[(2-fluorophenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100611248

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-[3,3-diphenylpropanoyl-[(2-fluorophenyl)methyl]amino]-3-phenylpropanamide?
The IUPAC name of (2R)-N-cyclohexyl-2-[3,3-diphenylpropanoyl-[(2-fluorophenyl)methyl]amino]-3-phenylpropanamide (CID 100610495) is (2R)-N-cyclohexyl-2-[3,3-diphenylpropanoyl-[(2-fluorophenyl)methyl]amino]-3-phenylpropanamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-[3,3-diphenylpropanoyl-[(2-fluorophenyl)methyl]amino]-3-phenylpropanamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-[3,3-diphenylpropanoyl-[(2-fluorophenyl)methyl]amino]-3-phenylpropanamide is O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-N-cyclohexyl-2-[3,3-diphenylpropanoyl-[(2-fluorophenyl)methyl]amino]-3-phenylpropanamide?
The InChIKey is ZNYAPAZKWSLRNZ-PGUFJCEWSA-N. The full InChI is InChI=1S/C37H39FN2O2/c38-34-24-14-13-21-31(34)27-40(36(41)26-33(29-17-7-2-8-18-29)30-19-9-3-10-20-30)35(25-28-15-5-1-6-16-28)37(42)39-32-22-11-4-12-23-32/h1-3,5-10,13-21,24,32-33,35H,4,11-12,22-23,25-27H2,(H,39,42)/t35-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-[3,3-diphenylpropanoyl-[(2-fluorophenyl)methyl]amino]-3-phenylpropanamide?
(2R)-N-cyclohexyl-2-[3,3-diphenylpropanoyl-[(2-fluorophenyl)methyl]amino]-3-phenylpropanamide has a molecular weight of 562.73 g/mol, XLogP of 7.44, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-[3,3-diphenylpropanoyl-[(2-fluorophenyl)methyl]amino]-3-phenylpropanamide is sourced from PubChem (CID 100610495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).