[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 2,5-dimethylfuran-3-carboxylate

C22H21NO5 — CID 24557435

IUPAC[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 2,5-dimethylfuran-3-carboxylate
SMILESCOc1ccc(NC(=O)c2ccc(COC(=O)c3cc(C)oc3C)cc2)cc1
InChIInChI=1S/C22H21NO5/c1-14-12-20(15(2)28-14)22(25)27-13-16-4-6-17(7-5-16)21(24)23-18-8-10-19(26-3)11-9-18/h4-12H,13H2,1-3H3,(H,23,24)
InChIKeyVMAHFMFNRJLISD-UHFFFAOYSA-N
MW379.41 g/mol
LogP4.51
Rot. Bonds6

About [4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 2,5-dimethylfuran-3-carboxylate

[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 2,5-dimethylfuran-3-carboxylate (PubChem CID 24557435) has the molecular formula C22H21NO5 and a molecular weight of 379.41 g/mol. Its IUPAC name is [4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Name[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 2,5-dimethylfuran-3-carboxylate
PubChem CID24557435
Molecular FormulaC22H21NO5
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC Name[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 2,5-dimethylfuran-3-carboxylate
SMILESCOc1ccc(NC(=O)c2ccc(COC(=O)c3cc(C)oc3C)cc2)cc1
InChIInChI=1S/C22H21NO5/c1-14-12-20(15(2)28-14)22(25)27-13-16-4-6-17(7-5-16)21(24)23-18-8-10-19(26-3)11-9-18/h4-12H,13H2,1-3H3,(H,23,24)
InChIKeyVMAHFMFNRJLISD-UHFFFAOYSA-N
XLogP4.51
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 4-(carbamoylamino)benzoate
CID 24558009
(4-bromophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate
CID 1214009
(3-methoxyphenyl)methyl 2,5-dimethylfuran-3-carboxylate
CID 78789323
[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]urea
CID 26028190
(3-fluorophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate
CID 2224729
[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 2-(2,2-dimethylpropanoylamino)propanoate
CID 18209777
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 5-nitrothiophene-2-carboxylate
CID 24557713
ethyl 2-chloro-4-[(4-methoxybenzoyl)amino]benzoate
CID 92673889
4-hydrazinyl-N-(4-methoxyphenyl)benzamide
CID 62237684
[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl (E)-3-(4-methyl-3-pyridinyl)prop-2-enoate
CID 166226439
4-[[(E)-1-(4-acetamidophenyl)ethylideneamino]oxymethyl]-N-(4-methoxyphenyl)benzamide
CID 43041490

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 2,5-dimethylfuran-3-carboxylate?
The IUPAC name of [4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 2,5-dimethylfuran-3-carboxylate (CID 24557435) is [4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for [4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for [4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 2,5-dimethylfuran-3-carboxylate is COc1ccc(NC(=O)c2ccc(COC(=O)c3cc(C)oc3C)cc2)cc1.
What is the InChIKey of [4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 2,5-dimethylfuran-3-carboxylate?
The InChIKey is VMAHFMFNRJLISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO5/c1-14-12-20(15(2)28-14)22(25)27-13-16-4-6-17(7-5-16)21(24)23-18-8-10-19(26-3)11-9-18/h4-12H,13H2,1-3H3,(H,23,24).
What are the key properties of [4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 2,5-dimethylfuran-3-carboxylate?
[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 2,5-dimethylfuran-3-carboxylate has a molecular weight of 379.41 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 24557435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).