N-(2-acetamidoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide

C17H25FN4O3 — CID 134057507

IUPACN-(2-acetamidoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
SMILESCCCC(NC(=O)NCc1ccc(F)cc1)C(=O)NCCNC(C)=O
InChIInChI=1S/C17H25FN4O3/c1-3-4-15(16(24)20-10-9-19-12(2)23)22-17(25)21-11-13-5-7-14(18)8-6-13/h5-8,15H,3-4,9-11H2,1-2H3,(H,19,23)(H,20,24)(H2,21,22,25)
InChIKeyUVNYOHJRTRKMCJ-UHFFFAOYSA-N
MW352.41 g/mol
LogP1.05
Rot. Bonds9

About N-(2-acetamidoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide

N-(2-acetamidoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide (PubChem CID 134057507) has the molecular formula C17H25FN4O3 and a molecular weight of 352.41 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
PubChem CID134057507
Molecular FormulaC17H25FN4O3
Molecular Weight352.41 g/mol
Exact Mass352.19
IUPAC NameN-(2-acetamidoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
SMILESCCCC(NC(=O)NCc1ccc(F)cc1)C(=O)NCCNC(C)=O
InChIInChI=1S/C17H25FN4O3/c1-3-4-15(16(24)20-10-9-19-12(2)23)22-17(25)21-11-13-5-7-14(18)8-6-13/h5-8,15H,3-4,9-11H2,1-2H3,(H,19,23)(H,20,24)(H2,21,22,25)
InChIKeyUVNYOHJRTRKMCJ-UHFFFAOYSA-N
XLogP1.05
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 51.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methoxyethyl)pentanamide
CID 99808381
N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 24640357
N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 24678029
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 24606174
(2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-2-ylmethyl)pentanamide
CID 36714136
N-[1-(2-chlorophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 42933788
N-[1-(2-bromophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 55503659
N-(2-amino-1-cyclopropylethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide;hydrochloride
CID 119616288
2-[(4-fluorophenyl)methylcarbamoylamino]-N-phenylmethoxypentanamide
CID 51323356
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methylpiperidin-4-yl)pentanamide
CID 120602332
3-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoyl-methylamino]-2-methylpropanoic acid
CID 119228249
1-[(4-fluorophenyl)methyl]-3-[1-oxo-1-[2-(pyrazine-2-carbonyl)hydrazinyl]pentan-2-yl]urea
CID 46521288

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide?
The IUPAC name of N-(2-acetamidoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide (CID 134057507) is N-(2-acetamidoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide is CCCC(NC(=O)NCc1ccc(F)cc1)C(=O)NCCNC(C)=O.
What is the InChIKey of N-(2-acetamidoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide?
The InChIKey is UVNYOHJRTRKMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN4O3/c1-3-4-15(16(24)20-10-9-19-12(2)23)22-17(25)21-11-13-5-7-14(18)8-6-13/h5-8,15H,3-4,9-11H2,1-2H3,(H,19,23)(H,20,24)(H2,21,22,25).
What are the key properties of N-(2-acetamidoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide?
N-(2-acetamidoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide has a molecular weight of 352.41 g/mol, XLogP of 1.05, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide is sourced from PubChem (CID 134057507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).