N-[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

C18H22N2O3 — CID 2453274

IUPACN-[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESCC(C)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1
InChIInChI=1S/C18H22N2O3/c1-13(2)12-19-17(21)15(11-14-7-4-3-5-8-14)20-18(22)16-9-6-10-23-16/h3-10,13,15H,11-12H2,1-2H3,(H,19,21)(H,20,22)/t15-/m0/s1
InChIKeyMJTBJKCUABBEBY-HNNXBMFYSA-N
MW314.38 g/mol
LogP2.39
Rot. Bonds7

About N-[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

N-[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (PubChem CID 2453274) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
PubChem CID2453274
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESCC(C)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1
InChIInChI=1S/C18H22N2O3/c1-13(2)12-19-17(21)15(11-14-7-4-3-5-8-14)20-18(22)16-9-6-10-23-16/h3-10,13,15H,11-12H2,1-2H3,(H,19,21)(H,20,22)/t15-/m0/s1
InChIKeyMJTBJKCUABBEBY-HNNXBMFYSA-N
XLogP2.39
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (CID 2453274) is N-[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is CC(C)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1.
What is the InChIKey of N-[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The InChIKey is MJTBJKCUABBEBY-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13(2)12-19-17(21)15(11-14-7-4-3-5-8-14)20-18(22)16-9-6-10-23-16/h3-10,13,15H,11-12H2,1-2H3,(H,19,21)(H,20,22)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
N-[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide has a molecular weight of 314.38 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 2453274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).