(2R)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methoxyethyl)pentanamide

C16H24FN3O3 — CID 99808381

IUPAC(2R)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methoxyethyl)pentanamide
SMILESCCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NCCOC
InChIInChI=1S/C16H24FN3O3/c1-3-4-14(15(21)18-9-10-23-2)20-16(22)19-11-12-5-7-13(17)8-6-12/h5-8,14H,3-4,9-11H2,1-2H3,(H,18,21)(H2,19,20,22)/t14-/m1/s1
InChIKeyATQMYKOBYZUPRQ-CQSZACIVSA-N
MW325.38 g/mol
LogP1.56
Rot. Bonds9

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

(2R)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methoxyethyl)pentanamide (PubChem CID 99808381) has the molecular formula C16H24FN3O3 and a molecular weight of 325.38 g/mol. Its IUPAC name is (2R)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methoxyethyl)pentanamide.

Molecular Properties

Compound Name(2R)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methoxyethyl)pentanamide
PubChem CID99808381
Molecular FormulaC16H24FN3O3
Molecular Weight325.38 g/mol
Exact Mass325.18
IUPAC Name(2R)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methoxyethyl)pentanamide
SMILESCCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NCCOC
InChIInChI=1S/C16H24FN3O3/c1-3-4-14(15(21)18-9-10-23-2)20-16(22)19-11-12-5-7-13(17)8-6-12/h5-8,14H,3-4,9-11H2,1-2H3,(H,18,21)(H2,19,20,22)/t14-/m1/s1
InChIKeyATQMYKOBYZUPRQ-CQSZACIVSA-N
XLogP1.56
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 134057507
N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 24640357
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 24606174
N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 24678029
2-[(4-fluorophenyl)methylcarbamoylamino]-N-phenylmethoxypentanamide
CID 51323356
(2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(pyridin-2-ylmethyl)pentanamide
CID 36714136
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(6-methoxy-3-pyridinyl)pentanamide
CID 24605807
2-[4-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55518026
methyl 2-chloro-5-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]benzoate
CID 55556722
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pentanamide
CID 46555458
1-[(4-fluorophenyl)methyl]-3-[1-oxo-1-[2-(pyrazine-2-carbonyl)hydrazinyl]pentan-2-yl]urea
CID 46521288
N-[1-(2-bromophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 55503659

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methoxyethyl)pentanamide?
The IUPAC name of (2R)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methoxyethyl)pentanamide (CID 99808381) is (2R)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methoxyethyl)pentanamide.
What is the SMILES notation for (2R)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methoxyethyl)pentanamide?
The canonical SMILES for (2R)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methoxyethyl)pentanamide is CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)NCCOC.
What is the InChIKey of (2R)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methoxyethyl)pentanamide?
The InChIKey is ATQMYKOBYZUPRQ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24FN3O3/c1-3-4-14(15(21)18-9-10-23-2)20-16(22)19-11-12-5-7-13(17)8-6-12/h5-8,14H,3-4,9-11H2,1-2H3,(H,18,21)(H2,19,20,22)/t14-/m1/s1.
What are the key properties of (2R)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methoxyethyl)pentanamide?
(2R)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methoxyethyl)pentanamide has a molecular weight of 325.38 g/mol, XLogP of 1.56, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methoxyethyl)pentanamide is sourced from PubChem (CID 99808381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).