N-(furan-2-ylmethyl)-3-(2-hydroxy-4-methylphenyl)-3-phenylpropanamide

C21H21NO3 — CID 2946197

IUPACN-(furan-2-ylmethyl)-3-(2-hydroxy-4-methylphenyl)-3-phenylpropanamide
SMILESCc1ccc(C(CC(=O)NCc2ccco2)c2ccccc2)c(O)c1
InChIInChI=1S/C21H21NO3/c1-15-9-10-18(20(23)12-15)19(16-6-3-2-4-7-16)13-21(24)22-14-17-8-5-11-25-17/h2-12,19,23H,13-14H2,1H3,(H,22,24)
InChIKeyAEULUYBDLMYYJZ-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.13
Rot. Bonds6

About N-(furan-2-ylmethyl)-3-(2-hydroxy-4-methylphenyl)-3-phenylpropanamide

N-(furan-2-ylmethyl)-3-(2-hydroxy-4-methylphenyl)-3-phenylpropanamide (PubChem CID 2946197) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(2-hydroxy-4-methylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(2-hydroxy-4-methylphenyl)-3-phenylpropanamide
PubChem CID2946197
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC NameN-(furan-2-ylmethyl)-3-(2-hydroxy-4-methylphenyl)-3-phenylpropanamide
SMILESCc1ccc(C(CC(=O)NCc2ccco2)c2ccccc2)c(O)c1
InChIInChI=1S/C21H21NO3/c1-15-9-10-18(20(23)12-15)19(16-6-3-2-4-7-16)13-21(24)22-14-17-8-5-11-25-17/h2-12,19,23H,13-14H2,1H3,(H,22,24)
InChIKeyAEULUYBDLMYYJZ-UHFFFAOYSA-N
XLogP4.13
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(2-hydroxy-4-methylphenyl)-3-phenylpropanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(2-hydroxy-4-methylphenyl)-3-phenylpropanamide (CID 2946197) is N-(furan-2-ylmethyl)-3-(2-hydroxy-4-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(2-hydroxy-4-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(2-hydroxy-4-methylphenyl)-3-phenylpropanamide is Cc1ccc(C(CC(=O)NCc2ccco2)c2ccccc2)c(O)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(2-hydroxy-4-methylphenyl)-3-phenylpropanamide?
The InChIKey is AEULUYBDLMYYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-15-9-10-18(20(23)12-15)19(16-6-3-2-4-7-16)13-21(24)22-14-17-8-5-11-25-17/h2-12,19,23H,13-14H2,1H3,(H,22,24).
What are the key properties of N-(furan-2-ylmethyl)-3-(2-hydroxy-4-methylphenyl)-3-phenylpropanamide?
N-(furan-2-ylmethyl)-3-(2-hydroxy-4-methylphenyl)-3-phenylpropanamide has a molecular weight of 335.40 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(2-hydroxy-4-methylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 2946197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).