N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(3-methylphenyl)propanamide

C16H19NO3 — CID 111441141

IUPACN-[2-(furan-2-yl)-2-hydroxyethyl]-2-(3-methylphenyl)propanamide
SMILESCc1cccc(C(C)C(=O)NCC(O)c2ccco2)c1
InChIInChI=1S/C16H19NO3/c1-11-5-3-6-13(9-11)12(2)16(19)17-10-14(18)15-7-4-8-20-15/h3-9,12,14,18H,10H2,1-2H3,(H,17,19)
InChIKeyPLFAWKWMLFUNKE-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.54
Rot. Bonds5

About N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(3-methylphenyl)propanamide

N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(3-methylphenyl)propanamide (PubChem CID 111441141) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxyethyl]-2-(3-methylphenyl)propanamide
PubChem CID111441141
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-[2-(furan-2-yl)-2-hydroxyethyl]-2-(3-methylphenyl)propanamide
SMILESCc1cccc(C(C)C(=O)NCC(O)c2ccco2)c1
InChIInChI=1S/C16H19NO3/c1-11-5-3-6-13(9-11)12(2)16(19)17-10-14(18)15-7-4-8-20-15/h3-9,12,14,18H,10H2,1-2H3,(H,17,19)
InChIKeyPLFAWKWMLFUNKE-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethanol
CID 81360536
N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(4-methoxyphenyl)propanamide
CID 111108626
2-[1-(furan-2-yl)ethylamino]-1-(3-methylphenyl)ethanol
CID 84595635
2-(5-bromothiophen-2-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 71870124
1-[1-(3,5-dimethylphenyl)propan-2-yl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 111508471
N-[1-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 110889321
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[1-(3-propan-2-yloxyphenyl)ethyl]urea
CID 110893573
1-(3,5-dichloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86849460
2-(3,4-difluorophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 110908743
N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 78866341
N'-(2,6-diethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide
CID 110893782
N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide
CID 86987865

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(3-methylphenyl)propanamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(3-methylphenyl)propanamide (CID 111441141) is N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(3-methylphenyl)propanamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(3-methylphenyl)propanamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(3-methylphenyl)propanamide is Cc1cccc(C(C)C(=O)NCC(O)c2ccco2)c1.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(3-methylphenyl)propanamide?
The InChIKey is PLFAWKWMLFUNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-11-5-3-6-13(9-11)12(2)16(19)17-10-14(18)15-7-4-8-20-15/h3-9,12,14,18H,10H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(3-methylphenyl)propanamide?
N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(3-methylphenyl)propanamide has a molecular weight of 273.33 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(3-methylphenyl)propanamide is sourced from PubChem (CID 111441141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).