N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(2-fluorophenyl)methyl]butanamide

C18H27FN2O2 — CID 133257302

IUPACN-[1-(butylamino)-1-oxopropan-2-yl]-N-[(2-fluorophenyl)methyl]butanamide
SMILESCCCCNC(=O)C(C)N(Cc1ccccc1F)C(=O)CCC
InChIInChI=1S/C18H27FN2O2/c1-4-6-12-20-18(23)14(3)21(17(22)9-5-2)13-15-10-7-8-11-16(15)19/h7-8,10-11,14H,4-6,9,12-13H2,1-3H3,(H,20,23)
InChIKeyUWLLEFXOSYKXPF-UHFFFAOYSA-N
MW322.42 g/mol
LogP3.26
Rot. Bonds9

About N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(2-fluorophenyl)methyl]butanamide

N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(2-fluorophenyl)methyl]butanamide (PubChem CID 133257302) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(2-fluorophenyl)methyl]butanamide.

Molecular Properties

Compound NameN-[1-(butylamino)-1-oxopropan-2-yl]-N-[(2-fluorophenyl)methyl]butanamide
PubChem CID133257302
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC NameN-[1-(butylamino)-1-oxopropan-2-yl]-N-[(2-fluorophenyl)methyl]butanamide
SMILESCCCCNC(=O)C(C)N(Cc1ccccc1F)C(=O)CCC
InChIInChI=1S/C18H27FN2O2/c1-4-6-12-20-18(23)14(3)21(17(22)9-5-2)13-15-10-7-8-11-16(15)19/h7-8,10-11,14H,4-6,9,12-13H2,1-3H3,(H,20,23)
InChIKeyUWLLEFXOSYKXPF-UHFFFAOYSA-N
XLogP3.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 53.26
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

(2S)-N-butyl-2-[(2-fluorophenyl)methyl-(3-phenylsulfanylpropanoyl)amino]propanamide
CID 100558343
(2S)-N-butyl-2-[(2-fluorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]propanamide
CID 100562497
(2S)-N-butyl-2-[(2-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]propanamide
CID 100563738
(2S)-N-butyl-2-[[2-(3,5-dimethylphenyl)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 100565173
(2S)-N-butyl-2-[(2-fluorophenyl)methyl-[3-(4-methylphenyl)sulfanylpropanoyl]amino]propanamide
CID 100558400
N-[(2S)-1-(butylamino)-1-oxopropan-2-yl]-4-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]butanamide
CID 100564499
N-butyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 132703784
N-butyl-2-[(4-chlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]propanamide
CID 132706192
2-[(2-fluorophenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]-N-propylpropanamide
CID 132762793
(2R)-N-butyl-2-[[2-(3,5-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 100562688
N-butyl-2-[[2-(3,5-dimethylphenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]propanamide
CID 133151676
N-[1-(butylamino)-1-oxopropan-2-yl]-4-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]butanamide
CID 133151739

Frequently Asked Questions

What is the IUPAC name of N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(2-fluorophenyl)methyl]butanamide?
The IUPAC name of N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(2-fluorophenyl)methyl]butanamide (CID 133257302) is N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(2-fluorophenyl)methyl]butanamide.
What is the SMILES notation for N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(2-fluorophenyl)methyl]butanamide?
The canonical SMILES for N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(2-fluorophenyl)methyl]butanamide is CCCCNC(=O)C(C)N(Cc1ccccc1F)C(=O)CCC.
What is the InChIKey of N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(2-fluorophenyl)methyl]butanamide?
The InChIKey is UWLLEFXOSYKXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2/c1-4-6-12-20-18(23)14(3)21(17(22)9-5-2)13-15-10-7-8-11-16(15)19/h7-8,10-11,14H,4-6,9,12-13H2,1-3H3,(H,20,23).
What are the key properties of N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(2-fluorophenyl)methyl]butanamide?
N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(2-fluorophenyl)methyl]butanamide has a molecular weight of 322.42 g/mol, XLogP of 3.26, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(butylamino)-1-oxopropan-2-yl]-N-[(2-fluorophenyl)methyl]butanamide is sourced from PubChem (CID 133257302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).