N-(2-hydroxy-3-phenylpropyl)-2,5-dimethylfuran-3-carboxamide

C16H19NO3 — CID 90534310

IUPACN-(2-hydroxy-3-phenylpropyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(O)Cc2ccccc2)c(C)o1
InChIInChI=1S/C16H19NO3/c1-11-8-15(12(2)20-11)16(19)17-10-14(18)9-13-6-4-3-5-7-13/h3-8,14,18H,9-10H2,1-2H3,(H,17,19)
InChIKeyWMOCAIAJHZSIQX-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.23
Rot. Bonds5

About N-(2-hydroxy-3-phenylpropyl)-2,5-dimethylfuran-3-carboxamide

N-(2-hydroxy-3-phenylpropyl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 90534310) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-(2-hydroxy-3-phenylpropyl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-phenylpropyl)-2,5-dimethylfuran-3-carboxamide
PubChem CID90534310
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-(2-hydroxy-3-phenylpropyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(O)Cc2ccccc2)c(C)o1
InChIInChI=1S/C16H19NO3/c1-11-8-15(12(2)20-11)16(19)17-10-14(18)9-13-6-4-3-5-7-13/h3-8,14,18H,9-10H2,1-2H3,(H,17,19)
InChIKeyWMOCAIAJHZSIQX-UHFFFAOYSA-N
XLogP2.23
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-3-phenylpropanoic acid
CID 801853
N-(2-chloro-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide
CID 113271444
N-(2-bromo-2-phenylethyl)-2,5-dimethylfuran-3-carboxamide
CID 114308477
N-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 110004082
N-[2-hydroxy-3-(3-methylphenoxy)propyl]-2,5-dimethylfuran-3-carboxamide
CID 110904505
N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,5-dimethylfuran-3-carboxamide
CID 43461466
2-bromo-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 56765281
N-[2-(2,2-diphenylethylamino)-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55883820
1-[(2,5-dimethylfuran-3-carbonyl)amino]-3-(1,2-diphenylethyl)urea
CID 134006560
2,5-dichloro-N-(2-hydroxy-3-phenylpropyl)thiophene-3-carboxamide
CID 111102459
N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367778
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 111115593

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-phenylpropyl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(2-hydroxy-3-phenylpropyl)-2,5-dimethylfuran-3-carboxamide (CID 90534310) is N-(2-hydroxy-3-phenylpropyl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-phenylpropyl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-phenylpropyl)-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCC(O)Cc2ccccc2)c(C)o1.
What is the InChIKey of N-(2-hydroxy-3-phenylpropyl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is WMOCAIAJHZSIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-11-8-15(12(2)20-11)16(19)17-10-14(18)9-13-6-4-3-5-7-13/h3-8,14,18H,9-10H2,1-2H3,(H,17,19).
What are the key properties of N-(2-hydroxy-3-phenylpropyl)-2,5-dimethylfuran-3-carboxamide?
N-(2-hydroxy-3-phenylpropyl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 273.33 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-phenylpropyl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 90534310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).