(2R)-2-[[2-(4-fluorophenyl)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide

C24H31FN2O2 — CID 100515352

IUPAC(2R)-2-[[2-(4-fluorophenyl)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
SMILESCC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C24H31FN2O2/c1-4-22(24(29)26-17-18(2)3)27(15-14-19-8-6-5-7-9-19)23(28)16-20-10-12-21(25)13-11-20/h5-13,18,22H,4,14-17H2,1-3H3,(H,26,29)/t22-/m1/s1
InChIKeyQKMHQBRWOLLWHV-JOCHJYFZSA-N
MW398.52 g/mol
LogP3.99
Rot. Bonds10

About (2R)-2-[[2-(4-fluorophenyl)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide

(2R)-2-[[2-(4-fluorophenyl)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide (PubChem CID 100515352) has the molecular formula C24H31FN2O2 and a molecular weight of 398.52 g/mol. Its IUPAC name is (2R)-2-[[2-(4-fluorophenyl)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name(2R)-2-[[2-(4-fluorophenyl)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
PubChem CID100515352
Molecular FormulaC24H31FN2O2
Molecular Weight398.52 g/mol
Exact Mass398.24
IUPAC Name(2R)-2-[[2-(4-fluorophenyl)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
SMILESCC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C24H31FN2O2/c1-4-22(24(29)26-17-18(2)3)27(15-14-19-8-6-5-7-9-19)23(28)16-20-10-12-21(25)13-11-20/h5-13,18,22H,4,14-17H2,1-3H3,(H,26,29)/t22-/m1/s1
InChIKeyQKMHQBRWOLLWHV-JOCHJYFZSA-N
XLogP3.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.52
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-2-[[2-(4-fluorophenyl)acetyl]-(2-phenylethyl)amino]butanamide
CID 132705262
(2S)-2-[[2-(4-methoxyphenyl)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 100514241
N-(2-methylpropyl)-2-[2-phenylethyl(3-phenylpropanoyl)amino]butanamide
CID 132704439
(2R)-N-(2-methylpropyl)-2-[2-phenylethyl(3-phenylpropanoyl)amino]butanamide
CID 100509553
N-ethyl-2-[(2-phenylacetyl)-(2-phenylethyl)amino]butanamide
CID 132653231
(2R)-2-[4-(4-fluoro-N-methylsulfonylanilino)butanoyl-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 100513411
(2S)-2-[4-(4-fluoro-N-methylsulfonylanilino)butanoyl-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 100513399
2-[4-(4-fluoro-N-methylsulfonylanilino)butanoyl-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 132730965
(2R)-2-[3-(2-chlorophenyl)propanoyl-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 100514701
(2R)-2-[[2-(2,4-dichlorophenyl)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 100515413
2-[[2-(4-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 132708841
2-[benzyl-[2-(4-methylphenyl)acetyl]amino]-N-(2-methylpropyl)butanamide
CID 132702861

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(4-fluorophenyl)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide?
The IUPAC name of (2R)-2-[[2-(4-fluorophenyl)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide (CID 100515352) is (2R)-2-[[2-(4-fluorophenyl)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide.
What is the SMILES notation for (2R)-2-[[2-(4-fluorophenyl)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide?
The canonical SMILES for (2R)-2-[[2-(4-fluorophenyl)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide is CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(F)cc1.
What is the InChIKey of (2R)-2-[[2-(4-fluorophenyl)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide?
The InChIKey is QKMHQBRWOLLWHV-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H31FN2O2/c1-4-22(24(29)26-17-18(2)3)27(15-14-19-8-6-5-7-9-19)23(28)16-20-10-12-21(25)13-11-20/h5-13,18,22H,4,14-17H2,1-3H3,(H,26,29)/t22-/m1/s1.
What are the key properties of (2R)-2-[[2-(4-fluorophenyl)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide?
(2R)-2-[[2-(4-fluorophenyl)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide has a molecular weight of 398.52 g/mol, XLogP of 3.99, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(4-fluorophenyl)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 100515352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).