5-[(4-butan-2-ylphenoxy)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide

C26H31NO5 — CID 19450465

IUPAC5-[(4-butan-2-ylphenoxy)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
SMILESCCC(C)c1ccc(OCc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)o2)cc1
InChIInChI=1S/C26H31NO5/c1-5-18(2)20-7-9-21(10-8-20)31-17-22-11-13-24(32-22)26(28)27-15-14-19-6-12-23(29-3)25(16-19)30-4/h6-13,16,18H,5,14-15,17H2,1-4H3,(H,27,28)
InChIKeyOLVZODCNZZLUFK-UHFFFAOYSA-N
MW437.54 g/mol
LogP5.36
Rot. Bonds11

About 5-[(4-butan-2-ylphenoxy)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide

5-[(4-butan-2-ylphenoxy)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide (PubChem CID 19450465) has the molecular formula C26H31NO5 and a molecular weight of 437.54 g/mol. Its IUPAC name is 5-[(4-butan-2-ylphenoxy)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-butan-2-ylphenoxy)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
PubChem CID19450465
Molecular FormulaC26H31NO5
Molecular Weight437.54 g/mol
Exact Mass437.22
IUPAC Name5-[(4-butan-2-ylphenoxy)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
SMILESCCC(C)c1ccc(OCc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)o2)cc1
InChIInChI=1S/C26H31NO5/c1-5-18(2)20-7-9-21(10-8-20)31-17-22-11-13-24(32-22)26(28)27-15-14-19-6-12-23(29-3)25(16-19)30-4/h6-13,16,18H,5,14-15,17H2,1-4H3,(H,27,28)
InChIKeyOLVZODCNZZLUFK-UHFFFAOYSA-N
XLogP5.36
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]acetate
CID 19450595
5-[[4-[(2S)-butan-2-yl]phenoxy]methyl]furan-2-carboxylic acid
CID 725859
N-(2-methoxyethyl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448238
5-[(4-butan-2-ylphenoxy)methyl]-N-(4-ethylphenyl)furan-2-carboxamide
CID 19450467
5-[(4-fluorophenoxy)methyl]-N-[2-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 55344956
N-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448118
N-[1-(4-butan-2-ylphenyl)propyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19413099
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(phenoxymethyl)benzamide
CID 26733446
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414041
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-5-[(4-butan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19450633
N-[(3-methoxy-4-propoxyphenyl)methyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 46447003
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 17386439

Frequently Asked Questions

What is the IUPAC name of 5-[(4-butan-2-ylphenoxy)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-[(4-butan-2-ylphenoxy)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide (CID 19450465) is 5-[(4-butan-2-ylphenoxy)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-butan-2-ylphenoxy)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-butan-2-ylphenoxy)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide is CCC(C)c1ccc(OCc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)o2)cc1.
What is the InChIKey of 5-[(4-butan-2-ylphenoxy)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide?
The InChIKey is OLVZODCNZZLUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO5/c1-5-18(2)20-7-9-21(10-8-20)31-17-22-11-13-24(32-22)26(28)27-15-14-19-6-12-23(29-3)25(16-19)30-4/h6-13,16,18H,5,14-15,17H2,1-4H3,(H,27,28).
What are the key properties of 5-[(4-butan-2-ylphenoxy)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide?
5-[(4-butan-2-ylphenoxy)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 5.36, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-butan-2-ylphenoxy)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 19450465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).