(2R)-N-[(2,5-dimethylfuran-3-yl)methyl]-2-phenoxypropanamide

C16H19NO3 — CID 95368385

IUPAC(2R)-N-[(2,5-dimethylfuran-3-yl)methyl]-2-phenoxypropanamide
SMILESCc1cc(CNC(=O)[C@@H](C)Oc2ccccc2)c(C)o1
InChIInChI=1S/C16H19NO3/c1-11-9-14(12(2)19-11)10-17-16(18)13(3)20-15-7-5-4-6-8-15/h4-9,13H,10H2,1-3H3,(H,17,18)/t13-/m1/s1
InChIKeyQTSCXECMVFRLHA-CYBMUJFWSA-N
MW273.33 g/mol
LogP2.98
Rot. Bonds5

About (2R)-N-[(2,5-dimethylfuran-3-yl)methyl]-2-phenoxypropanamide

(2R)-N-[(2,5-dimethylfuran-3-yl)methyl]-2-phenoxypropanamide (PubChem CID 95368385) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is (2R)-N-[(2,5-dimethylfuran-3-yl)methyl]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2R)-N-[(2,5-dimethylfuran-3-yl)methyl]-2-phenoxypropanamide
PubChem CID95368385
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name(2R)-N-[(2,5-dimethylfuran-3-yl)methyl]-2-phenoxypropanamide
SMILESCc1cc(CNC(=O)[C@@H](C)Oc2ccccc2)c(C)o1
InChIInChI=1S/C16H19NO3/c1-11-9-14(12(2)19-11)10-17-16(18)13(3)20-15-7-5-4-6-8-15/h4-9,13H,10H2,1-3H3,(H,17,18)/t13-/m1/s1
InChIKeyQTSCXECMVFRLHA-CYBMUJFWSA-N
XLogP2.98
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(2-methylphenyl)methyl]-2-phenoxypropanamide
CID 41013253
N-[(2-hydroxyphenyl)methyl]-2-phenoxypropanamide
CID 60607631
N-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methyl]-2-phenoxypropanamide
CID 121057623
(2R)-N-[(4-methylphenyl)methyl]-2-phenoxypropanamide
CID 670065
(2R)-2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 93234508
(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide
CID 38295049
2-(4-methylphenoxy)-N-[(2-methylphenyl)methyl]propanamide
CID 46807295
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
CID 831480
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
2-(4-bromophenoxy)-N-[(2-methylphenyl)methyl]propanamide
CID 84929552
N-[2-(methylamino)ethyl]-2-phenoxypropanamide
CID 119503949
N-[[2-(hydroxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide
CID 110909100

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2,5-dimethylfuran-3-yl)methyl]-2-phenoxypropanamide?
The IUPAC name of (2R)-N-[(2,5-dimethylfuran-3-yl)methyl]-2-phenoxypropanamide (CID 95368385) is (2R)-N-[(2,5-dimethylfuran-3-yl)methyl]-2-phenoxypropanamide.
What is the SMILES notation for (2R)-N-[(2,5-dimethylfuran-3-yl)methyl]-2-phenoxypropanamide?
The canonical SMILES for (2R)-N-[(2,5-dimethylfuran-3-yl)methyl]-2-phenoxypropanamide is Cc1cc(CNC(=O)[C@@H](C)Oc2ccccc2)c(C)o1.
What is the InChIKey of (2R)-N-[(2,5-dimethylfuran-3-yl)methyl]-2-phenoxypropanamide?
The InChIKey is QTSCXECMVFRLHA-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19NO3/c1-11-9-14(12(2)19-11)10-17-16(18)13(3)20-15-7-5-4-6-8-15/h4-9,13H,10H2,1-3H3,(H,17,18)/t13-/m1/s1.
What are the key properties of (2R)-N-[(2,5-dimethylfuran-3-yl)methyl]-2-phenoxypropanamide?
(2R)-N-[(2,5-dimethylfuran-3-yl)methyl]-2-phenoxypropanamide has a molecular weight of 273.33 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2,5-dimethylfuran-3-yl)methyl]-2-phenoxypropanamide is sourced from PubChem (CID 95368385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).