N-[5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-methoxyphenyl]furan-2-carboxamide

C22H22N2O5 — CID 9324992

IUPACN-[5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-methoxyphenyl]furan-2-carboxamide
SMILESCOc1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1NC(=O)c1ccco1
InChIInChI=1S/C22H22N2O5/c1-14-9-15(2)11-17(10-14)29-13-21(25)23-16-6-7-19(27-3)18(12-16)24-22(26)20-5-4-8-28-20/h4-12H,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyCOABRPSFDZESMV-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.17
Rot. Bonds7

About N-[5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-methoxyphenyl]furan-2-carboxamide

N-[5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-methoxyphenyl]furan-2-carboxamide (PubChem CID 9324992) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-methoxyphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-methoxyphenyl]furan-2-carboxamide
PubChem CID9324992
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC NameN-[5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-methoxyphenyl]furan-2-carboxamide
SMILESCOc1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1NC(=O)c1ccco1
InChIInChI=1S/C22H22N2O5/c1-14-9-15(2)11-17(10-14)29-13-21(25)23-16-6-7-19(27-3)18(12-16)24-22(26)20-5-4-8-28-20/h4-12H,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyCOABRPSFDZESMV-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-(3,4-dimethylphenoxy)acetyl]amino]-4-methoxyphenyl]furan-2-carboxamide
CID 1091667
N-[3-[[2-(2,3-dimethylphenoxy)acetyl]amino]-4-methoxyphenyl]furan-2-carboxamide
CID 3157279
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-[2-chloro-4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 23798450
N-(3,4-dimethoxyphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 19174454
N-[4-[[2-(2-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]furan-2-carboxamide
CID 3161355
N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(4-methoxyphenyl)butanediamide
CID 4999318
N-[5-(2,3-dihydroxypropylamino)-2-methoxyphenyl]furan-2-carboxamide
CID 168593134
4-methoxy-N-[2-methoxy-5-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]benzamide
CID 46323188
N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylphenyl]furan-2-carboxamide
CID 1086039
N-[3-[(3-bromo-4-ethoxybenzoyl)amino]-4-methoxyphenyl]furan-2-carboxamide
CID 2212927

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-methoxyphenyl]furan-2-carboxamide?
The IUPAC name of N-[5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-methoxyphenyl]furan-2-carboxamide (CID 9324992) is N-[5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-methoxyphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-methoxyphenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-methoxyphenyl]furan-2-carboxamide is COc1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-methoxyphenyl]furan-2-carboxamide?
The InChIKey is COABRPSFDZESMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-14-9-15(2)11-17(10-14)29-13-21(25)23-16-6-7-19(27-3)18(12-16)24-22(26)20-5-4-8-28-20/h4-12H,13H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-[5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-methoxyphenyl]furan-2-carboxamide?
N-[5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-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-[5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-methoxyphenyl]furan-2-carboxamide is sourced from PubChem (CID 9324992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).