N-[1-(3,4-diethoxyphenyl)ethyl]-5-(phenoxymethyl)furan-2-carboxamide

C24H27NO5 — CID 43011698

IUPACN-[1-(3,4-diethoxyphenyl)ethyl]-5-(phenoxymethyl)furan-2-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)c2ccc(COc3ccccc3)o2)cc1OCC
InChIInChI=1S/C24H27NO5/c1-4-27-21-13-11-18(15-23(21)28-5-2)17(3)25-24(26)22-14-12-20(30-22)16-29-19-9-7-6-8-10-19/h6-15,17H,4-5,16H2,1-3H3,(H,25,26)
InChIKeyQOXFPMULTGIDMC-UHFFFAOYSA-N
MW409.48 g/mol
LogP5.15
Rot. Bonds10

About N-[1-(3,4-diethoxyphenyl)ethyl]-5-(phenoxymethyl)furan-2-carboxamide

N-[1-(3,4-diethoxyphenyl)ethyl]-5-(phenoxymethyl)furan-2-carboxamide (PubChem CID 43011698) has the molecular formula C24H27NO5 and a molecular weight of 409.48 g/mol. Its IUPAC name is N-[1-(3,4-diethoxyphenyl)ethyl]-5-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-diethoxyphenyl)ethyl]-5-(phenoxymethyl)furan-2-carboxamide
PubChem CID43011698
Molecular FormulaC24H27NO5
Molecular Weight409.48 g/mol
Exact Mass409.19
IUPAC NameN-[1-(3,4-diethoxyphenyl)ethyl]-5-(phenoxymethyl)furan-2-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)c2ccc(COc3ccccc3)o2)cc1OCC
InChIInChI=1S/C24H27NO5/c1-4-27-21-13-11-18(15-23(21)28-5-2)17(3)25-24(26)22-14-12-20(30-22)16-29-19-9-7-6-8-10-19/h6-15,17H,4-5,16H2,1-3H3,(H,25,26)
InChIKeyQOXFPMULTGIDMC-UHFFFAOYSA-N
XLogP5.15
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.48
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,4-diethoxyphenyl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78824780
5-[(3-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 19465616
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide
CID 7311223
N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448207
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
5-(phenoxymethyl)-N-[(1R)-1-thiophen-2-ylethyl]furan-2-carboxamide
CID 33465538
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(methoxymethyl)benzamide
CID 8620540
5-(methoxymethyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]furan-2-carboxamide
CID 78867521
5-[(2-ethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 7018661
3,4-diethoxy-N-(1-phenylethyl)benzamide
CID 3369950
N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19457119

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]-5-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]-5-(phenoxymethyl)furan-2-carboxamide (CID 43011698) is N-[1-(3,4-diethoxyphenyl)ethyl]-5-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[1-(3,4-diethoxyphenyl)ethyl]-5-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[1-(3,4-diethoxyphenyl)ethyl]-5-(phenoxymethyl)furan-2-carboxamide is CCOc1ccc(C(C)NC(=O)c2ccc(COc3ccccc3)o2)cc1OCC.
What is the InChIKey of N-[1-(3,4-diethoxyphenyl)ethyl]-5-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is QOXFPMULTGIDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO5/c1-4-27-21-13-11-18(15-23(21)28-5-2)17(3)25-24(26)22-14-12-20(30-22)16-29-19-9-7-6-8-10-19/h6-15,17H,4-5,16H2,1-3H3,(H,25,26).
What are the key properties of N-[1-(3,4-diethoxyphenyl)ethyl]-5-(phenoxymethyl)furan-2-carboxamide?
N-[1-(3,4-diethoxyphenyl)ethyl]-5-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 409.48 g/mol, XLogP of 5.15, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-diethoxyphenyl)ethyl]-5-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 43011698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).