N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-4-methoxyphenyl]furan-2-carboxamide

C22H22N2O5 — CID 1091667

IUPACN-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-4-methoxyphenyl]furan-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccco2)cc1NC(=O)COc1ccc(C)c(C)c1
InChIInChI=1S/C22H22N2O5/c1-14-6-8-17(11-15(14)2)29-13-21(25)24-18-12-16(7-9-19(18)27-3)23-22(26)20-5-4-10-28-20/h4-12H,13H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyWAPQAVPWNHUFHY-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.17
Rot. Bonds7

About N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-4-methoxyphenyl]furan-2-carboxamide

N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-4-methoxyphenyl]furan-2-carboxamide (PubChem CID 1091667) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-4-methoxyphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-4-methoxyphenyl]furan-2-carboxamide
PubChem CID1091667
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC NameN-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-4-methoxyphenyl]furan-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccco2)cc1NC(=O)COc1ccc(C)c(C)c1
InChIInChI=1S/C22H22N2O5/c1-14-6-8-17(11-15(14)2)29-13-21(25)24-18-12-16(7-9-19(18)27-3)23-22(26)20-5-4-10-28-20/h4-12H,13H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyWAPQAVPWNHUFHY-UHFFFAOYSA-N
XLogP4.17
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[2-(2,3-dimethylphenoxy)acetyl]amino]-4-methoxyphenyl]furan-2-carboxamide
CID 3157279
N-[5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-methoxyphenyl]furan-2-carboxamide
CID 9324992
N-[5-[(2-butoxyacetyl)amino]-2-methoxyphenyl]furan-2-carboxamide
CID 50982846
N-[4-methoxy-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 655668
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
N-(5-tert-butyl-2-methoxyphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 16546420
N-[3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-4-methoxyphenyl]furan-2-carboxamide
CID 1299860
N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(4-methoxyphenyl)butanediamide
CID 4999318
N-[3-[(3-butoxybenzoyl)carbamothioylamino]-4-methoxyphenyl]furan-2-carboxamide
CID 3934658
N-(3-ethyl-4-methoxyphenyl)furan-2-carboxamide
CID 110777193
[2-(2,5-dimethoxyanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 7565992
N-[3-[[2-(4-bromophenoxy)-2-methylpropanoyl]amino]-4-methoxyphenyl]furan-2-carboxamide
CID 30309281

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-4-methoxyphenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-4-methoxyphenyl]furan-2-carboxamide (CID 1091667) is N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-4-methoxyphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-4-methoxyphenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-4-methoxyphenyl]furan-2-carboxamide is COc1ccc(NC(=O)c2ccco2)cc1NC(=O)COc1ccc(C)c(C)c1.
What is the InChIKey of N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-4-methoxyphenyl]furan-2-carboxamide?
The InChIKey is WAPQAVPWNHUFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-14-6-8-17(11-15(14)2)29-13-21(25)24-18-12-16(7-9-19(18)27-3)23-22(26)20-5-4-10-28-20/h4-12H,13H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-4-methoxyphenyl]furan-2-carboxamide?
N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-4-methoxyphenyl]furan-2-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-4-methoxyphenyl]furan-2-carboxamide is sourced from PubChem (CID 1091667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).