N-[[(2S)-butan-2-yl]carbamoyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide

C15H22FN3O2 — CID 9251801

IUPACN-[[(2S)-butan-2-yl]carbamoyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide
SMILESCC[C@H](C)NC(=O)NC(=O)CN(C)Cc1ccc(F)cc1
InChIInChI=1S/C15H22FN3O2/c1-4-11(2)17-15(21)18-14(20)10-19(3)9-12-5-7-13(16)8-6-12/h5-8,11H,4,9-10H2,1-3H3,(H2,17,18,20,21)/t11-/m0/s1
InChIKeyCKZGZJNIXFFIQI-NSHDSACASA-N
MW295.36 g/mol
LogP1.88
Rot. Bonds6

About N-[[(2S)-butan-2-yl]carbamoyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide

N-[[(2S)-butan-2-yl]carbamoyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide (PubChem CID 9251801) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[[(2S)-butan-2-yl]carbamoyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[[(2S)-butan-2-yl]carbamoyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide
PubChem CID9251801
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC NameN-[[(2S)-butan-2-yl]carbamoyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide
SMILESCC[C@H](C)NC(=O)NC(=O)CN(C)Cc1ccc(F)cc1
InChIInChI=1S/C15H22FN3O2/c1-4-11(2)17-15(21)18-14(20)10-19(3)9-12-5-7-13(16)8-6-12/h5-8,11H,4,9-10H2,1-3H3,(H2,17,18,20,21)/t11-/m0/s1
InChIKeyCKZGZJNIXFFIQI-NSHDSACASA-N
XLogP1.88
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2R)-butan-2-yl]carbamoyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 9251798
N-[[(2R)-butan-2-yl]carbamoyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761110
N-[[(2R)-butan-2-yl]carbamoyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8799035
2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 9251733
N-[[(2S)-butan-2-yl]carbamoyl]-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 9058250
2-[(4-fluorophenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide
CID 9251739
N-[[(2S)-butan-2-yl]carbamoyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide
CID 9045913
N-[[(2R)-butan-2-yl]carbamoyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide
CID 9045908
N-(cyclopentylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 9251711
N-(ethylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 9028269
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-cyclopropyl-[(4-fluorophenyl)methyl]azanium
CID 8906036
N-(tert-butylcarbamoyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 4818784

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-butan-2-yl]carbamoyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-[[(2S)-butan-2-yl]carbamoyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide (CID 9251801) is N-[[(2S)-butan-2-yl]carbamoyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-[[(2S)-butan-2-yl]carbamoyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-[[(2S)-butan-2-yl]carbamoyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide is CC[C@H](C)NC(=O)NC(=O)CN(C)Cc1ccc(F)cc1.
What is the InChIKey of N-[[(2S)-butan-2-yl]carbamoyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide?
The InChIKey is CKZGZJNIXFFIQI-NSHDSACASA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-4-11(2)17-15(21)18-14(20)10-19(3)9-12-5-7-13(16)8-6-12/h5-8,11H,4,9-10H2,1-3H3,(H2,17,18,20,21)/t11-/m0/s1.
What are the key properties of N-[[(2S)-butan-2-yl]carbamoyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide?
N-[[(2S)-butan-2-yl]carbamoyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide has a molecular weight of 295.36 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-butan-2-yl]carbamoyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 9251801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).