[2-(4-methylanilino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate

C22H21NO4 — CID 4882169

IUPAC[2-(4-methylanilino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1ccc(NC(=O)C(OC(=O)c2cc(C)oc2C)c2ccccc2)cc1
InChIInChI=1S/C22H21NO4/c1-14-9-11-18(12-10-14)23-21(24)20(17-7-5-4-6-8-17)27-22(25)19-13-15(2)26-16(19)3/h4-13,20H,1-3H3,(H,23,24)
InChIKeyRSXTUNLPCQGYPR-UHFFFAOYSA-N
MW363.41 g/mol
LogP4.74
Rot. Bonds5

About [2-(4-methylanilino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate

[2-(4-methylanilino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate (PubChem CID 4882169) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is [2-(4-methylanilino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Name[2-(4-methylanilino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate
PubChem CID4882169
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name[2-(4-methylanilino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1ccc(NC(=O)C(OC(=O)c2cc(C)oc2C)c2ccccc2)cc1
InChIInChI=1S/C22H21NO4/c1-14-9-11-18(12-10-14)23-21(24)20(17-7-5-4-6-8-17)27-22(25)19-13-15(2)26-16(19)3/h4-13,20H,1-3H3,(H,23,24)
InChIKeyRSXTUNLPCQGYPR-UHFFFAOYSA-N
XLogP4.74
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-{3-[(2-Methyl-5-phenyl-3-furoyl)amino]phenyl}acrylic acid
CID 673109
Methyl 4-[(2-phenoxypropanoyl)amino]benzoate
CID 2867477
(2R)-N-[4-(benzoyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 1019881
3-(5-ethylfuran-2-yl)-N-(4-ethylphenyl)propanamide
CID 942220
N-[4-(benzyloxy)phenyl]-2,5-dimethyl-3-furamide
CID 1247120
[2-(2-Fluoroanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 2355174
[2-(3,5-Dimethylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2434456
[2-(2-Bromoanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2642248
[2-(3-Nitroanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2646419
N-(4-ethylphenyl)-3-(5-methylfuran-2-yl)propanamide
CID 2952210
{4-[3-(5-Methyl-furan-2-yl)-propionylamino]-phenyl}-acetic acid
CID 2988586
[2-[4-(Butanoylamino)phenyl]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 7433785

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylanilino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate?
The IUPAC name of [2-(4-methylanilino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate (CID 4882169) is [2-(4-methylanilino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for [2-(4-methylanilino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for [2-(4-methylanilino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate is Cc1ccc(NC(=O)C(OC(=O)c2cc(C)oc2C)c2ccccc2)cc1.
What is the InChIKey of [2-(4-methylanilino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate?
The InChIKey is RSXTUNLPCQGYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c1-14-9-11-18(12-10-14)23-21(24)20(17-7-5-4-6-8-17)27-22(25)19-13-15(2)26-16(19)3/h4-13,20H,1-3H3,(H,23,24).
What are the key properties of [2-(4-methylanilino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate?
[2-(4-methylanilino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate has a molecular weight of 363.41 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylanilino)-2-oxo-1-phenylethyl] 2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 4882169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).