5-[(3-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide

C21H21NO3 — CID 19465616

IUPAC5-[(3-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide
SMILESCc1cccc(OCc2ccc(C(=O)NC(C)c3ccccc3)o2)c1
InChIInChI=1S/C21H21NO3/c1-15-7-6-10-18(13-15)24-14-19-11-12-20(25-19)21(23)22-16(2)17-8-4-3-5-9-17/h3-13,16H,14H2,1-2H3,(H,22,23)
InChIKeyJZFDFCUWHMMNQE-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.66
Rot. Bonds6

About 5-[(3-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide

5-[(3-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide (PubChem CID 19465616) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 5-[(3-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide
PubChem CID19465616
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name5-[(3-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide
SMILESCc1cccc(OCc2ccc(C(=O)NC(C)c3ccccc3)o2)c1
InChIInChI=1S/C21H21NO3/c1-15-7-6-10-18(13-15)24-14-19-11-12-20(25-19)21(23)22-16(2)17-8-4-3-5-9-17/h3-13,16H,14H2,1-2H3,(H,22,23)
InChIKeyJZFDFCUWHMMNQE-UHFFFAOYSA-N
XLogP4.66
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-methylphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19467228
5-[(4-methyl-2-nitrophenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 19461245
N-(2,6-dimethylphenyl)-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19465597
N-[1-(3,4-diethoxyphenyl)ethyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 43011698
N-(3-methylphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7464174
2-(3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 879297
5-[(3-methylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide
CID 19465579
5-[(3-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide
CID 63577007
5-(phenoxymethyl)-N-[(1R)-1-thiophen-2-ylethyl]furan-2-carboxamide
CID 33465538
5-[(2-methoxyphenoxy)methyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 35529733
5-[(2-methoxyphenoxy)methyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 35529730
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 110281606

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide?
The IUPAC name of 5-[(3-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide (CID 19465616) is 5-[(3-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(3-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(3-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide is Cc1cccc(OCc2ccc(C(=O)NC(C)c3ccccc3)o2)c1.
What is the InChIKey of 5-[(3-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide?
The InChIKey is JZFDFCUWHMMNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-15-7-6-10-18(13-15)24-14-19-11-12-20(25-19)21(23)22-16(2)17-8-4-3-5-9-17/h3-13,16H,14H2,1-2H3,(H,22,23).
What are the key properties of 5-[(3-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide?
5-[(3-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide has a molecular weight of 335.40 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide is sourced from PubChem (CID 19465616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).