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

C24H31FN2O2 — CID 132705262

IUPACN-butyl-2-[[2-(4-fluorophenyl)acetyl]-(2-phenylethyl)amino]butanamide
SMILESCCCCNC(=O)C(CC)N(CCc1ccccc1)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C24H31FN2O2/c1-3-5-16-26-24(29)22(4-2)27(17-15-19-9-7-6-8-10-19)23(28)18-20-11-13-21(25)14-12-20/h6-14,22H,3-5,15-18H2,1-2H3,(H,26,29)
InChIKeyNKVATGUMVSIJKK-UHFFFAOYSA-N
MW398.52 g/mol
LogP4.13
Rot. Bonds11

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

N-butyl-2-[[2-(4-fluorophenyl)acetyl]-(2-phenylethyl)amino]butanamide (PubChem CID 132705262) has the molecular formula C24H31FN2O2 and a molecular weight of 398.52 g/mol. Its IUPAC name is N-butyl-2-[[2-(4-fluorophenyl)acetyl]-(2-phenylethyl)amino]butanamide.

Molecular Properties

Compound NameN-butyl-2-[[2-(4-fluorophenyl)acetyl]-(2-phenylethyl)amino]butanamide
PubChem CID132705262
Molecular FormulaC24H31FN2O2
Molecular Weight398.52 g/mol
Exact Mass398.24
IUPAC NameN-butyl-2-[[2-(4-fluorophenyl)acetyl]-(2-phenylethyl)amino]butanamide
SMILESCCCCNC(=O)C(CC)N(CCc1ccccc1)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C24H31FN2O2/c1-3-5-16-26-24(29)22(4-2)27(17-15-19-9-7-6-8-10-19)23(28)18-20-11-13-21(25)14-12-20/h6-14,22H,3-5,15-18H2,1-2H3,(H,26,29)
InChIKeyNKVATGUMVSIJKK-UHFFFAOYSA-N
XLogP4.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.52
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[[2-(4-fluorophenyl)acetyl]-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 100515352
N-butyl-2-[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]-(2-phenylethyl)amino]butanamide
CID 132715266
N-butyl-2-[[2-(2-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide
CID 132704476
N-ethyl-2-[(2-phenylacetyl)-(2-phenylethyl)amino]butanamide
CID 132653231
(2S)-2-[[2-[(4-fluorophenyl)methylsulfanyl]acetyl]-(2-phenylethyl)amino]-N-propylbutanamide
CID 100636283
N-butyl-2-[[2-(4-chlorophenyl)acetyl]-(2-phenylethyl)amino]propanamide
CID 132705678
N-butyl-2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]butanamide
CID 132708870
N-butyl-2-[(4-fluorophenyl)methyl-[2-(4-methoxyphenyl)acetyl]amino]butanamide
CID 132707947
N-butyl-2-[4-(4-ethyl-N-methylsulfonylanilino)butanoyl-(2-phenylethyl)amino]butanamide
CID 132733528
(2S)-2-[[2-(2-methylphenyl)acetyl]-(2-phenylethyl)amino]-N-propylbutanamide
CID 100638415
N-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(4-fluorophenyl)methyl]amino]butanamide
CID 132707567
N-butyl-2-[[2-(4-ethyl-N-methylsulfonylanilino)acetyl]-(2-phenylethyl)amino]butanamide
CID 132725864

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[2-(4-fluorophenyl)acetyl]-(2-phenylethyl)amino]butanamide?
The IUPAC name of N-butyl-2-[[2-(4-fluorophenyl)acetyl]-(2-phenylethyl)amino]butanamide (CID 132705262) is N-butyl-2-[[2-(4-fluorophenyl)acetyl]-(2-phenylethyl)amino]butanamide.
What is the SMILES notation for N-butyl-2-[[2-(4-fluorophenyl)acetyl]-(2-phenylethyl)amino]butanamide?
The canonical SMILES for N-butyl-2-[[2-(4-fluorophenyl)acetyl]-(2-phenylethyl)amino]butanamide is CCCCNC(=O)C(CC)N(CCc1ccccc1)C(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-butyl-2-[[2-(4-fluorophenyl)acetyl]-(2-phenylethyl)amino]butanamide?
The InChIKey is NKVATGUMVSIJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O2/c1-3-5-16-26-24(29)22(4-2)27(17-15-19-9-7-6-8-10-19)23(28)18-20-11-13-21(25)14-12-20/h6-14,22H,3-5,15-18H2,1-2H3,(H,26,29).
What are the key properties of N-butyl-2-[[2-(4-fluorophenyl)acetyl]-(2-phenylethyl)amino]butanamide?
N-butyl-2-[[2-(4-fluorophenyl)acetyl]-(2-phenylethyl)amino]butanamide has a molecular weight of 398.52 g/mol, XLogP of 4.13, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[2-(4-fluorophenyl)acetyl]-(2-phenylethyl)amino]butanamide is sourced from PubChem (CID 132705262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).