N-butan-2-yl-2-[(4-fluorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide

C27H31FN2O2 — CID 132712575

IUPACN-butan-2-yl-2-[(4-fluorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
SMILESCCC(C)NC(=O)C(C)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc12
InChIInChI=1S/C27H31FN2O2/c1-4-19(2)29-27(32)20(3)30(18-21-12-15-24(28)16-13-21)26(31)17-14-23-10-7-9-22-8-5-6-11-25(22)23/h5-13,15-16,19-20H,4,14,17-18H2,1-3H3,(H,29,32)
InChIKeyUFTZZJPTZSRART-UHFFFAOYSA-N
MW434.56 g/mol
LogP5.24
Rot. Bonds9

About N-butan-2-yl-2-[(4-fluorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide

N-butan-2-yl-2-[(4-fluorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide (PubChem CID 132712575) has the molecular formula C27H31FN2O2 and a molecular weight of 434.56 g/mol. Its IUPAC name is N-butan-2-yl-2-[(4-fluorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(4-fluorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
PubChem CID132712575
Molecular FormulaC27H31FN2O2
Molecular Weight434.56 g/mol
Exact Mass434.24
IUPAC NameN-butan-2-yl-2-[(4-fluorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
SMILESCCC(C)NC(=O)C(C)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc12
InChIInChI=1S/C27H31FN2O2/c1-4-19(2)29-27(32)20(3)30(18-21-12-15-24(28)16-13-21)26(31)17-14-23-10-7-9-22-8-5-6-11-25(22)23/h5-13,15-16,19-20H,4,14,17-18H2,1-3H3,(H,29,32)
InChIKeyUFTZZJPTZSRART-UHFFFAOYSA-N
XLogP5.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.56
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(2R)-butan-2-yl]-2-[3-(2-chlorophenyl)propanoyl-[(4-fluorophenyl)methyl]amino]propanamide
CID 100574362
(2R)-N-[(2S)-butan-2-yl]-2-[(2-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
CID 100531489
(2R)-N-[(2R)-butan-2-yl]-2-[(3-methylphenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
CID 100540105
(2S)-N-[(2R)-butan-2-yl]-2-[(2-chlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
CID 100557658
(2R)-N-[(2S)-butan-2-yl]-2-[3-(4-ethylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]propanamide
CID 100574041
(2R)-N-[(2R)-butan-2-yl]-2-[(4-fluorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]propanamide
CID 100572122
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(4-fluorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 100575362
(2R)-N-[(2R)-butan-2-yl]-2-[(4-fluorophenyl)methyl-[3-(4-propan-2-ylphenyl)propanoyl]amino]propanamide
CID 100574068
(2S)-N-[(2S)-butan-2-yl]-2-[3-(4-tert-butylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]propanamide
CID 100572188
(2S)-2-[(4-fluorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]-3-phenyl-N-propan-2-ylpropanamide
CID 100517197
(2S)-N-[(2S)-butan-2-yl]-2-[(4-fluorophenyl)methyl-propanoylamino]propanamide
CID 100575272
(2S)-N-[(2R)-butan-2-yl]-2-[(2,4-dichlorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide
CID 100582982

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(4-fluorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide?
The IUPAC name of N-butan-2-yl-2-[(4-fluorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide (CID 132712575) is N-butan-2-yl-2-[(4-fluorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide.
What is the SMILES notation for N-butan-2-yl-2-[(4-fluorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide?
The canonical SMILES for N-butan-2-yl-2-[(4-fluorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide is CCC(C)NC(=O)C(C)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc12.
What is the InChIKey of N-butan-2-yl-2-[(4-fluorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide?
The InChIKey is UFTZZJPTZSRART-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN2O2/c1-4-19(2)29-27(32)20(3)30(18-21-12-15-24(28)16-13-21)26(31)17-14-23-10-7-9-22-8-5-6-11-25(22)23/h5-13,15-16,19-20H,4,14,17-18H2,1-3H3,(H,29,32).
What are the key properties of N-butan-2-yl-2-[(4-fluorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide?
N-butan-2-yl-2-[(4-fluorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide has a molecular weight of 434.56 g/mol, XLogP of 5.24, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(4-fluorophenyl)methyl-(3-naphthalen-1-ylpropanoyl)amino]propanamide is sourced from PubChem (CID 132712575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).