3-[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(methylcarbamoyl)propanamide

C17H24FN3O3 — CID 94477534

IUPAC3-[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)CCN(Cc1cccc(F)c1)C[C@@H]1CCCO1
InChIInChI=1S/C17H24FN3O3/c1-19-17(23)20-16(22)7-8-21(12-15-6-3-9-24-15)11-13-4-2-5-14(18)10-13/h2,4-5,10,15H,3,6-9,11-12H2,1H3,(H2,19,20,22,23)/t15-/m0/s1
InChIKeyBPSDXFKEMXYMSX-HNNXBMFYSA-N
MW337.39 g/mol
LogP1.65
Rot. Bonds7

About 3-[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(methylcarbamoyl)propanamide

3-[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(methylcarbamoyl)propanamide (PubChem CID 94477534) has the molecular formula C17H24FN3O3 and a molecular weight of 337.39 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(methylcarbamoyl)propanamide
PubChem CID94477534
Molecular FormulaC17H24FN3O3
Molecular Weight337.39 g/mol
Exact Mass337.18
IUPAC Name3-[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)CCN(Cc1cccc(F)c1)C[C@@H]1CCCO1
InChIInChI=1S/C17H24FN3O3/c1-19-17(23)20-16(22)7-8-21(12-15-6-3-9-24-15)11-13-4-2-5-14(18)10-13/h2,4-5,10,15H,3,6-9,11-12H2,1H3,(H2,19,20,22,23)/t15-/m0/s1
InChIKeyBPSDXFKEMXYMSX-HNNXBMFYSA-N
XLogP1.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopentylcarbamoyl)-2-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
CID 49309235
N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-phenylethanamine
CID 60514059
3-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N,N-dimethylbenzamide
CID 49435339
3-[bis[[(2R)-oxolan-2-yl]methyl]amino]-N-(3-fluorophenyl)propanamide
CID 51952632
2-[(3-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
CID 94394222
2-[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
CID 94394221
N-(2-chloro-4-fluorophenyl)-2-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
CID 60606738
2-[benzyl(oxolan-2-ylmethyl)amino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 60570632
N-(methylcarbamoyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055441
5-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-2-methoxyphenol
CID 43818526
N-[(3-fluorophenyl)methyl]-2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 94348968
2-(3-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 110733180

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 3-[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(methylcarbamoyl)propanamide (CID 94477534) is 3-[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 3-[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)CCN(Cc1cccc(F)c1)C[C@@H]1CCCO1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(methylcarbamoyl)propanamide?
The InChIKey is BPSDXFKEMXYMSX-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24FN3O3/c1-19-17(23)20-16(22)7-8-21(12-15-6-3-9-24-15)11-13-4-2-5-14(18)10-13/h2,4-5,10,15H,3,6-9,11-12H2,1H3,(H2,19,20,22,23)/t15-/m0/s1.
What are the key properties of 3-[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(methylcarbamoyl)propanamide?
3-[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(methylcarbamoyl)propanamide has a molecular weight of 337.39 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 94477534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).