N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-2-phenylfuran-3-carboxamide

C17H21NO3 — CID 95200847

IUPACN-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-2-phenylfuran-3-carboxamide
SMILESCCN(C(=O)c1cc(C)oc1-c1ccccc1)[C@@H](C)CO
InChIInChI=1S/C17H21NO3/c1-4-18(12(2)11-19)17(20)15-10-13(3)21-16(15)14-8-6-5-7-9-14/h5-10,12,19H,4,11H2,1-3H3/t12-/m0/s1
InChIKeyDSIRTIPSPTZYBJ-LBPRGKRZSA-N
MW287.36 g/mol
LogP3.10
Rot. Bonds5

About N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-2-phenylfuran-3-carboxamide

N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-2-phenylfuran-3-carboxamide (PubChem CID 95200847) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-2-phenylfuran-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-2-phenylfuran-3-carboxamide
PubChem CID95200847
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC NameN-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-2-phenylfuran-3-carboxamide
SMILESCCN(C(=O)c1cc(C)oc1-c1ccccc1)[C@@H](C)CO
InChIInChI=1S/C17H21NO3/c1-4-18(12(2)11-19)17(20)15-10-13(3)21-16(15)14-8-6-5-7-9-14/h5-10,12,19H,4,11H2,1-3H3/t12-/m0/s1
InChIKeyDSIRTIPSPTZYBJ-LBPRGKRZSA-N
XLogP3.10
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-2-phenylfuran-3-carboxamide?
The IUPAC name of N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-2-phenylfuran-3-carboxamide (CID 95200847) is N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-2-phenylfuran-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-2-phenylfuran-3-carboxamide?
The canonical SMILES for N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-2-phenylfuran-3-carboxamide is CCN(C(=O)c1cc(C)oc1-c1ccccc1)[C@@H](C)CO.
What is the InChIKey of N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-2-phenylfuran-3-carboxamide?
The InChIKey is DSIRTIPSPTZYBJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21NO3/c1-4-18(12(2)11-19)17(20)15-10-13(3)21-16(15)14-8-6-5-7-9-14/h5-10,12,19H,4,11H2,1-3H3/t12-/m0/s1.
What are the key properties of N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-2-phenylfuran-3-carboxamide?
N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-2-phenylfuran-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-2-phenylfuran-3-carboxamide is sourced from PubChem (CID 95200847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).