(2,5-dimethylphenyl)methyl 2-(furan-2-carbonylamino)acetate

C16H17NO4 — CID 46791464

IUPAC(2,5-dimethylphenyl)methyl 2-(furan-2-carbonylamino)acetate
SMILESCc1ccc(C)c(COC(=O)CNC(=O)c2ccco2)c1
InChIInChI=1S/C16H17NO4/c1-11-5-6-12(2)13(8-11)10-21-15(18)9-17-16(19)14-4-3-7-20-14/h3-8H,9-10H2,1-2H3,(H,17,19)
InChIKeyRCISMAZPDIGEHW-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.37
Rot. Bonds5

About (2,5-dimethylphenyl)methyl 2-(furan-2-carbonylamino)acetate

(2,5-dimethylphenyl)methyl 2-(furan-2-carbonylamino)acetate (PubChem CID 46791464) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is (2,5-dimethylphenyl)methyl 2-(furan-2-carbonylamino)acetate.

Molecular Properties

Compound Name(2,5-dimethylphenyl)methyl 2-(furan-2-carbonylamino)acetate
PubChem CID46791464
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name(2,5-dimethylphenyl)methyl 2-(furan-2-carbonylamino)acetate
SMILESCc1ccc(C)c(COC(=O)CNC(=O)c2ccco2)c1
InChIInChI=1S/C16H17NO4/c1-11-5-6-12(2)13(8-11)10-21-15(18)9-17-16(19)14-4-3-7-20-14/h3-8H,9-10H2,1-2H3,(H,17,19)
InChIKeyRCISMAZPDIGEHW-UHFFFAOYSA-N
XLogP2.37
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7880275
(2-methoxy-5-methylphenyl)methyl 3-(furan-2-carbonylamino)propanoate
CID 7629639
(2,5-dimethylphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 7882414
tert-butyl 2-(furan-2-carbonylamino)acetate
CID 78966369
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7879716
benzyl 2-[(5-methyl-1-benzofuran-2-carbonyl)amino]acetate
CID 60550544
N-[2-(3,4-dimethylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 82120675
(3-ethylphenyl) 2-(furan-2-carbonylamino)acetate
CID 110670866
[2-(2-methyl-4-nitroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7879587
(2,5-dimethylphenyl)methyl 2-[(4-chloro-3-nitrobenzoyl)amino]acetate
CID 7877239
(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(furan-2-carbonylamino)acetate
CID 7899255
N-[2-(5-bromo-2-methylphenyl)ethyl]furan-2-carboxamide
CID 110792461

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)methyl 2-(furan-2-carbonylamino)acetate?
The IUPAC name of (2,5-dimethylphenyl)methyl 2-(furan-2-carbonylamino)acetate (CID 46791464) is (2,5-dimethylphenyl)methyl 2-(furan-2-carbonylamino)acetate.
What is the SMILES notation for (2,5-dimethylphenyl)methyl 2-(furan-2-carbonylamino)acetate?
The canonical SMILES for (2,5-dimethylphenyl)methyl 2-(furan-2-carbonylamino)acetate is Cc1ccc(C)c(COC(=O)CNC(=O)c2ccco2)c1.
What is the InChIKey of (2,5-dimethylphenyl)methyl 2-(furan-2-carbonylamino)acetate?
The InChIKey is RCISMAZPDIGEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-11-5-6-12(2)13(8-11)10-21-15(18)9-17-16(19)14-4-3-7-20-14/h3-8H,9-10H2,1-2H3,(H,17,19).
What are the key properties of (2,5-dimethylphenyl)methyl 2-(furan-2-carbonylamino)acetate?
(2,5-dimethylphenyl)methyl 2-(furan-2-carbonylamino)acetate has a molecular weight of 287.31 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)methyl 2-(furan-2-carbonylamino)acetate is sourced from PubChem (CID 46791464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).