N-[2-(butylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide

C23H29FN2O2 — CID 133238194

IUPACN-[2-(butylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
SMILESCCCCNC(=O)C(c1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C
InChIInChI=1S/C23H29FN2O2/c1-4-5-15-25-22(27)21(19-9-7-6-8-10-19)26(23(28)17(2)3)16-18-11-13-20(24)14-12-18/h6-14,17,21H,4-5,15-16H2,1-3H3,(H,25,27)
InChIKeyPCDRBLUYPGATJH-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.47
Rot. Bonds9

About N-[2-(butylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide

N-[2-(butylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide (PubChem CID 133238194) has the molecular formula C23H29FN2O2 and a molecular weight of 384.50 g/mol. Its IUPAC name is N-[2-(butylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(butylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
PubChem CID133238194
Molecular FormulaC23H29FN2O2
Molecular Weight384.50 g/mol
Exact Mass384.22
IUPAC NameN-[2-(butylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
SMILESCCCCNC(=O)C(c1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C
InChIInChI=1S/C23H29FN2O2/c1-4-5-15-25-22(27)21(19-9-7-6-8-10-19)26(23(28)17(2)3)16-18-11-13-20(24)14-12-18/h6-14,17,21H,4-5,15-16H2,1-3H3,(H,25,27)
InChIKeyPCDRBLUYPGATJH-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
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-[1-(butylamino)-1-oxopropan-2-yl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 133149574
N-benzyl-N-[2-(3-hydroxypropylamino)-2-oxo-1-phenylethyl]-2-methylpropanamide
CID 133237103
N-[(4-fluorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(propylamino)ethyl]propanamide
CID 133238136
N-butyl-2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-2-phenylacetamide
CID 133237738
N-butyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 132703784
2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-phenyl-N-(3-propan-2-yloxypropyl)acetamide
CID 133238250
2-[acetyl(benzyl)amino]-N-pentyl-2-phenylacetamide
CID 133237048
N-benzyl-2-methyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]propanamide
CID 133236940
N-butyl-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
CID 133238775
N-benzyl-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
CID 133238234
N-[2-(ethylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide
CID 133238256
N-[(4-chlorophenyl)methyl]-N-[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl]-2-methylpropanamide
CID 133237646

Frequently Asked Questions

What is the IUPAC name of N-[2-(butylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide?
The IUPAC name of N-[2-(butylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide (CID 133238194) is N-[2-(butylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(butylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(butylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide is CCCCNC(=O)C(c1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C.
What is the InChIKey of N-[2-(butylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide?
The InChIKey is PCDRBLUYPGATJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O2/c1-4-5-15-25-22(27)21(19-9-7-6-8-10-19)26(23(28)17(2)3)16-18-11-13-20(24)14-12-18/h6-14,17,21H,4-5,15-16H2,1-3H3,(H,25,27).
What are the key properties of N-[2-(butylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide?
N-[2-(butylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide has a molecular weight of 384.50 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 133238194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).