[2-(2-methyl-4-nitroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate

C16H15N3O7 — CID 7879587

IUPAC[2-(2-methyl-4-nitroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CNC(=O)c1ccco1
InChIInChI=1S/C16H15N3O7/c1-10-7-11(19(23)24)4-5-12(10)18-14(20)9-26-15(21)8-17-16(22)13-3-2-6-25-13/h2-7H,8-9H2,1H3,(H,17,22)(H,18,20)
InChIKeyCSSBFBZDDCVHJW-UHFFFAOYSA-N
MW361.31 g/mol
LogP1.41
Rot. Bonds7

About [2-(2-methyl-4-nitroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate

[2-(2-methyl-4-nitroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate (PubChem CID 7879587) has the molecular formula C16H15N3O7 and a molecular weight of 361.31 g/mol. Its IUPAC name is [2-(2-methyl-4-nitroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate.

Molecular Properties

Compound Name[2-(2-methyl-4-nitroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
PubChem CID7879587
Molecular FormulaC16H15N3O7
Molecular Weight361.31 g/mol
Exact Mass361.09
IUPAC Name[2-(2-methyl-4-nitroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CNC(=O)c1ccco1
InChIInChI=1S/C16H15N3O7/c1-10-7-11(19(23)24)4-5-12(10)18-14(20)9-26-15(21)8-17-16(22)13-3-2-6-25-13/h2-7H,8-9H2,1H3,(H,17,22)(H,18,20)
InChIKeyCSSBFBZDDCVHJW-UHFFFAOYSA-N
XLogP1.41
TPSA140.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7880275
[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7879506
[2-(4-nitrophenyl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 2185288
[2-(2-methyl-4-nitroanilino)-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 8014038
[2-(2-fluoroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7880328
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7879716
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7880201
N-[2-(3-nitroanilino)-2-oxoethyl]furan-2-carboxamide
CID 7965625
ethyl 2-[(2-methyl-4-nitrophenyl)carbamoylamino]acetate
CID 60638880
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
CID 8875399
[2-(2-methyl-4-nitroanilino)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate
CID 7555285
trans-[2-(2-methyl-4-nitroanilino)-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8019633

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-4-nitroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?
The IUPAC name of [2-(2-methyl-4-nitroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate (CID 7879587) is [2-(2-methyl-4-nitroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate.
What is the SMILES notation for [2-(2-methyl-4-nitroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?
The canonical SMILES for [2-(2-methyl-4-nitroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate is Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CNC(=O)c1ccco1.
What is the InChIKey of [2-(2-methyl-4-nitroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?
The InChIKey is CSSBFBZDDCVHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O7/c1-10-7-11(19(23)24)4-5-12(10)18-14(20)9-26-15(21)8-17-16(22)13-3-2-6-25-13/h2-7H,8-9H2,1H3,(H,17,22)(H,18,20).
What are the key properties of [2-(2-methyl-4-nitroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?
[2-(2-methyl-4-nitroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate has a molecular weight of 361.31 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-4-nitroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate is sourced from PubChem (CID 7879587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).