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

C23H29FN2O2 — CID 132703411

IUPACN-butyl-2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide
SMILESCCCCNC(=O)C(C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)cc1
InChIInChI=1S/C23H29FN2O2/c1-4-5-14-25-23(28)18(3)26(16-20-10-12-21(24)13-11-20)22(27)15-19-8-6-17(2)7-9-19/h6-13,18H,4-5,14-16H2,1-3H3,(H,25,28)
InChIKeyFBOGEZKQLVFOAJ-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.01
Rot. Bonds9

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

N-butyl-2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide (PubChem CID 132703411) has the molecular formula C23H29FN2O2 and a molecular weight of 384.50 g/mol. Its IUPAC name is N-butyl-2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-butyl-2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide
PubChem CID132703411
Molecular FormulaC23H29FN2O2
Molecular Weight384.50 g/mol
Exact Mass384.22
IUPAC NameN-butyl-2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide
SMILESCCCCNC(=O)C(C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)cc1
InChIInChI=1S/C23H29FN2O2/c1-4-5-14-25-23(28)18(3)26(16-20-10-12-21(24)13-11-20)22(27)15-19-8-6-17(2)7-9-19/h6-13,18H,4-5,14-16H2,1-3H3,(H,25,28)
InChIKeyFBOGEZKQLVFOAJ-UHFFFAOYSA-N
XLogP4.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.01
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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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide?
The IUPAC name of N-butyl-2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide (CID 132703411) is N-butyl-2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide.
What is the SMILES notation for N-butyl-2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide?
The canonical SMILES for N-butyl-2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide is CCCCNC(=O)C(C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)cc1.
What is the InChIKey of N-butyl-2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide?
The InChIKey is FBOGEZKQLVFOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O2/c1-4-5-14-25-23(28)18(3)26(16-20-10-12-21(24)13-11-20)22(27)15-19-8-6-17(2)7-9-19/h6-13,18H,4-5,14-16H2,1-3H3,(H,25,28).
What are the key properties of N-butyl-2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide?
N-butyl-2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide has a molecular weight of 384.50 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide is sourced from PubChem (CID 132703411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).