N-[2-(2-methoxyphenyl)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide

C24H27NO4 — CID 21046251

IUPACN-[2-(2-methoxyphenyl)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1ccc(Oc2cc(C(C)C)ccc2C)o1
InChIInChI=1S/C24H27NO4/c1-16(2)19-10-9-17(3)22(15-19)29-23-12-11-21(28-23)24(26)25-14-13-18-7-5-6-8-20(18)27-4/h5-12,15-16H,13-14H2,1-4H3,(H,25,26)
InChIKeyGGYLBOWWLFLOQW-UHFFFAOYSA-N
MW393.48 g/mol
LogP5.48
Rot. Bonds8

About N-[2-(2-methoxyphenyl)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide

N-[2-(2-methoxyphenyl)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide (PubChem CID 21046251) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide
PubChem CID21046251
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1ccc(Oc2cc(C(C)C)ccc2C)o1
InChIInChI=1S/C24H27NO4/c1-16(2)19-10-9-17(3)22(15-19)29-23-12-11-21(28-23)24(26)25-14-13-18-7-5-6-8-20(18)27-4/h5-12,15-16H,13-14H2,1-4H3,(H,25,26)
InChIKeyGGYLBOWWLFLOQW-UHFFFAOYSA-N
XLogP5.48
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.48
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethoxyphenyl)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide
CID 21047059
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide
CID 21046250
N-[2-(N-ethyl-3-methylanilino)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide
CID 21047341
2-(3,4-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911158
2-(2-methoxy-4-propan-2-ylphenyl)ethylcarbamothioic S-acid
CID 115170285
N-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47098800
3-(4-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 110298815
N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 8911194
N-[2-(2-methoxyphenyl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide
CID 110681428
N-[2-(2,5-dimethoxyphenyl)ethyl]-5-[(2-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554556
N-[2-(2-methoxyphenyl)ethyl]-2,3-dimethylbenzamide
CID 26778040
2-(3,4-dihydroxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113199035

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide (CID 21046251) is N-[2-(2-methoxyphenyl)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide is COc1ccccc1CCNC(=O)c1ccc(Oc2cc(C(C)C)ccc2C)o1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide?
The InChIKey is GGYLBOWWLFLOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c1-16(2)19-10-9-17(3)22(15-19)29-23-12-11-21(28-23)24(26)25-14-13-18-7-5-6-8-20(18)27-4/h5-12,15-16H,13-14H2,1-4H3,(H,25,26).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide has a molecular weight of 393.48 g/mol, XLogP of 5.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide is sourced from PubChem (CID 21046251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).