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

C25H29NO5 — CID 21047059

IUPACN-[2-(3,5-dimethoxyphenyl)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide
SMILESCOc1cc(CCNC(=O)c2ccc(Oc3cc(C(C)C)ccc3C)o2)cc(OC)c1
InChIInChI=1S/C25H29NO5/c1-16(2)19-7-6-17(3)23(14-19)31-24-9-8-22(30-24)25(27)26-11-10-18-12-20(28-4)15-21(13-18)29-5/h6-9,12-16H,10-11H2,1-5H3,(H,26,27)
InChIKeyRTKMBGUGLILEAO-UHFFFAOYSA-N
MW423.51 g/mol
LogP5.49
Rot. Bonds9

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

N-[2-(3,5-dimethoxyphenyl)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide (PubChem CID 21047059) has the molecular formula C25H29NO5 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[2-(3,5-dimethoxyphenyl)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethoxyphenyl)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide
PubChem CID21047059
Molecular FormulaC25H29NO5
Molecular Weight423.51 g/mol
Exact Mass423.20
IUPAC NameN-[2-(3,5-dimethoxyphenyl)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide
SMILESCOc1cc(CCNC(=O)c2ccc(Oc3cc(C(C)C)ccc3C)o2)cc(OC)c1
InChIInChI=1S/C25H29NO5/c1-16(2)19-7-6-17(3)23(14-19)31-24-9-8-22(30-24)25(27)26-11-10-18-12-20(28-4)15-21(13-18)29-5/h6-9,12-16H,10-11H2,1-5H3,(H,26,27)
InChIKeyRTKMBGUGLILEAO-UHFFFAOYSA-N
XLogP5.49
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.51
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide
CID 21046251
N-[2-(N-ethyl-3-methylanilino)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide
CID 21047341
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide
CID 21046250
2,4-dimethoxy-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 7974411
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 16545149
5-phenoxy-N-(2-phenylethyl)furan-2-carboxamide
CID 75361139
5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[2-(3-methoxyphenyl)ethyl]furan-2-carboxamide
CID 21046091
5-[2-methyl-4,5-bis(trimethylsilyl)phenoxy]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide
CID 11329981
N-[2-(4-chlorophenyl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 18293065
N-(3,5-dimethoxyphenyl)-5-(4-propan-2-ylphenyl)furan-2-carboxamide
CID 177358680
5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]furan-2-carboxamide
CID 110795131
N-[2-(3-methoxyphenyl)ethyl]-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109284747

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethoxyphenyl)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide?
The IUPAC name of N-[2-(3,5-dimethoxyphenyl)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide (CID 21047059) is N-[2-(3,5-dimethoxyphenyl)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethoxyphenyl)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethoxyphenyl)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide is COc1cc(CCNC(=O)c2ccc(Oc3cc(C(C)C)ccc3C)o2)cc(OC)c1.
What is the InChIKey of N-[2-(3,5-dimethoxyphenyl)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide?
The InChIKey is RTKMBGUGLILEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO5/c1-16(2)19-7-6-17(3)23(14-19)31-24-9-8-22(30-24)25(27)26-11-10-18-12-20(28-4)15-21(13-18)29-5/h6-9,12-16H,10-11H2,1-5H3,(H,26,27).
What are the key properties of N-[2-(3,5-dimethoxyphenyl)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide?
N-[2-(3,5-dimethoxyphenyl)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide has a molecular weight of 423.51 g/mol, XLogP of 5.49, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethoxyphenyl)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide is sourced from PubChem (CID 21047059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).