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

C24H31FN2O2 — CID 132705259

IUPACN-butyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
SMILESCCCCNC(=O)C(CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1F
InChIInChI=1S/C24H31FN2O2/c1-4-6-15-26-24(29)22(5-2)27(17-19-13-11-18(3)12-14-19)23(28)16-20-9-7-8-10-21(20)25/h7-14,22H,4-6,15-17H2,1-3H3,(H,26,29)
InChIKeyWFZFCCRHBIEMPS-UHFFFAOYSA-N
MW398.52 g/mol
LogP4.40
Rot. Bonds10

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

N-butyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide (PubChem CID 132705259) has the molecular formula C24H31FN2O2 and a molecular weight of 398.52 g/mol. Its IUPAC name is N-butyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide.

Molecular Properties

Compound NameN-butyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
PubChem CID132705259
Molecular FormulaC24H31FN2O2
Molecular Weight398.52 g/mol
Exact Mass398.24
IUPAC NameN-butyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
SMILESCCCCNC(=O)C(CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1F
InChIInChI=1S/C24H31FN2O2/c1-4-6-15-26-24(29)22(5-2)27(17-19-13-11-18(3)12-14-19)23(28)16-20-9-7-8-10-21(20)25/h7-14,22H,4-6,15-17H2,1-3H3,(H,26,29)
InChIKeyWFZFCCRHBIEMPS-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
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

N-butyl-2-[[2-(2-methylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide
CID 132704479
(2S)-N-butyl-2-[(2-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide
CID 100563738
N-butyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 132703784
N-butyl-2-[[2-(2-chlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]butanamide
CID 132708870
N-butyl-2-[(4-chlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]propanamide
CID 132706192
2-[[2-(2-fluorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]-N-methylbutanamide
CID 132654253
(2S)-2-[benzyl-[2-(4-methylphenyl)acetyl]amino]-N-propylbutanamide
CID 100541940
2-[(4-chlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-(2-methylpropyl)butanamide
CID 132708850
N-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(4-fluorophenyl)methyl]amino]butanamide
CID 132707567
N-butyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
CID 133153411
2-[(4-chlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-methylbutanamide
CID 132656683
(2S)-2-[[2-(4-methylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100562451

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide?
The IUPAC name of N-butyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide (CID 132705259) is N-butyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide.
What is the SMILES notation for N-butyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide?
The canonical SMILES for N-butyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide is CCCCNC(=O)C(CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1F.
What is the InChIKey of N-butyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide?
The InChIKey is WFZFCCRHBIEMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O2/c1-4-6-15-26-24(29)22(5-2)27(17-19-13-11-18(3)12-14-19)23(28)16-20-9-7-8-10-21(20)25/h7-14,22H,4-6,15-17H2,1-3H3,(H,26,29).
What are the key properties of N-butyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide?
N-butyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide has a molecular weight of 398.52 g/mol, XLogP of 4.40, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]butanamide is sourced from PubChem (CID 132705259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).