2-[[(2R)-1-(2-fluorophenoxy)propan-2-yl]carbamoylamino]-N-(2-methylpropyl)acetamide

C16H24FN3O3 — CID 95159960

IUPAC2-[[(2R)-1-(2-fluorophenoxy)propan-2-yl]carbamoylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNC(=O)N[C@H](C)COc1ccccc1F
InChIInChI=1S/C16H24FN3O3/c1-11(2)8-18-15(21)9-19-16(22)20-12(3)10-23-14-7-5-4-6-13(14)17/h4-7,11-12H,8-10H2,1-3H3,(H,18,21)(H2,19,20,22)/t12-/m1/s1
InChIKeyINTGIKDKJIXZLM-GFCCVEGCSA-N
MW325.38 g/mol
LogP1.66
Rot. Bonds8

About 2-[[(2R)-1-(2-fluorophenoxy)propan-2-yl]carbamoylamino]-N-(2-methylpropyl)acetamide

2-[[(2R)-1-(2-fluorophenoxy)propan-2-yl]carbamoylamino]-N-(2-methylpropyl)acetamide (PubChem CID 95159960) has the molecular formula C16H24FN3O3 and a molecular weight of 325.38 g/mol. Its IUPAC name is 2-[[(2R)-1-(2-fluorophenoxy)propan-2-yl]carbamoylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[[(2R)-1-(2-fluorophenoxy)propan-2-yl]carbamoylamino]-N-(2-methylpropyl)acetamide
PubChem CID95159960
Molecular FormulaC16H24FN3O3
Molecular Weight325.38 g/mol
Exact Mass325.18
IUPAC Name2-[[(2R)-1-(2-fluorophenoxy)propan-2-yl]carbamoylamino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CNC(=O)N[C@H](C)COc1ccccc1F
InChIInChI=1S/C16H24FN3O3/c1-11(2)8-18-15(21)9-19-16(22)20-12(3)10-23-14-7-5-4-6-13(14)17/h4-7,11-12H,8-10H2,1-3H3,(H,18,21)(H2,19,20,22)/t12-/m1/s1
InChIKeyINTGIKDKJIXZLM-GFCCVEGCSA-N
XLogP1.66
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-fluorophenoxy)propan-2-yl]-3-[(1-methylpyrrol-2-yl)methyl]urea
CID 75374781
2-(2-fluorophenoxy)-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 94623553
1-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-3-(4-hydroxycyclohexyl)urea
CID 94594223
1-[(2R)-1-(2-fluorophenoxy)propan-2-yl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea
CID 96548941
2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 40623473
2-[1-(4-fluorophenoxy)propan-2-ylcarbamoylamino]-N-propylacetamide
CID 86826839
N-[2-[[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]amino]-2-oxoethyl]-4-methylpentanamide
CID 86941025
3-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide
CID 120831531
methyl N-[2-[[(1S)-2-(2-fluorophenoxy)-1-phenylethyl]amino]-2-oxoethyl]carbamate
CID 94612751
(2R)-N-[(2S)-1-(2-fluorophenoxy)propan-2-yl]-1,4-dioxane-2-carboxamide
CID 94198152
1-(2-fluorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635222
3-[1-(2-fluorophenoxy)propan-2-ylamino]propanoic acid
CID 167878771

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-1-(2-fluorophenoxy)propan-2-yl]carbamoylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[[(2R)-1-(2-fluorophenoxy)propan-2-yl]carbamoylamino]-N-(2-methylpropyl)acetamide (CID 95159960) is 2-[[(2R)-1-(2-fluorophenoxy)propan-2-yl]carbamoylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[[(2R)-1-(2-fluorophenoxy)propan-2-yl]carbamoylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[[(2R)-1-(2-fluorophenoxy)propan-2-yl]carbamoylamino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CNC(=O)N[C@H](C)COc1ccccc1F.
What is the InChIKey of 2-[[(2R)-1-(2-fluorophenoxy)propan-2-yl]carbamoylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is INTGIKDKJIXZLM-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24FN3O3/c1-11(2)8-18-15(21)9-19-16(22)20-12(3)10-23-14-7-5-4-6-13(14)17/h4-7,11-12H,8-10H2,1-3H3,(H,18,21)(H2,19,20,22)/t12-/m1/s1.
What are the key properties of 2-[[(2R)-1-(2-fluorophenoxy)propan-2-yl]carbamoylamino]-N-(2-methylpropyl)acetamide?
2-[[(2R)-1-(2-fluorophenoxy)propan-2-yl]carbamoylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 325.38 g/mol, XLogP of 1.66, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-1-(2-fluorophenoxy)propan-2-yl]carbamoylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 95159960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).