1-(furan-2-yl)-2-[4-[2-(N-methyl-2-nitroanilino)acetyl]morpholin-3-yl]ethanone

C19H21N3O6 — CID 71848355

IUPAC1-(furan-2-yl)-2-[4-[2-(N-methyl-2-nitroanilino)acetyl]morpholin-3-yl]ethanone
SMILESCN(CC(=O)N1CCOCC1CC(=O)c1ccco1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H21N3O6/c1-20(15-5-2-3-6-16(15)22(25)26)12-19(24)21-8-10-27-13-14(21)11-17(23)18-7-4-9-28-18/h2-7,9,14H,8,10-13H2,1H3
InChIKeyAUHCPUMTCVWRGZ-UHFFFAOYSA-N
MW387.39 g/mol
LogP2.12
Rot. Bonds7

About 1-(furan-2-yl)-2-[4-[2-(N-methyl-2-nitroanilino)acetyl]morpholin-3-yl]ethanone

1-(furan-2-yl)-2-[4-[2-(N-methyl-2-nitroanilino)acetyl]morpholin-3-yl]ethanone (PubChem CID 71848355) has the molecular formula C19H21N3O6 and a molecular weight of 387.39 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[4-[2-(N-methyl-2-nitroanilino)acetyl]morpholin-3-yl]ethanone.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[4-[2-(N-methyl-2-nitroanilino)acetyl]morpholin-3-yl]ethanone
PubChem CID71848355
Molecular FormulaC19H21N3O6
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC Name1-(furan-2-yl)-2-[4-[2-(N-methyl-2-nitroanilino)acetyl]morpholin-3-yl]ethanone
SMILESCN(CC(=O)N1CCOCC1CC(=O)c1ccco1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H21N3O6/c1-20(15-5-2-3-6-16(15)22(25)26)12-19(24)21-8-10-27-13-14(21)11-17(23)18-7-4-9-28-18/h2-7,9,14H,8,10-13H2,1H3
InChIKeyAUHCPUMTCVWRGZ-UHFFFAOYSA-N
XLogP2.12
TPSA106.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 52.12
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[4-[2-(N-methyl-2-nitroanilino)acetyl]morpholin-3-yl]ethanone?
The IUPAC name of 1-(furan-2-yl)-2-[4-[2-(N-methyl-2-nitroanilino)acetyl]morpholin-3-yl]ethanone (CID 71848355) is 1-(furan-2-yl)-2-[4-[2-(N-methyl-2-nitroanilino)acetyl]morpholin-3-yl]ethanone.
What is the SMILES notation for 1-(furan-2-yl)-2-[4-[2-(N-methyl-2-nitroanilino)acetyl]morpholin-3-yl]ethanone?
The canonical SMILES for 1-(furan-2-yl)-2-[4-[2-(N-methyl-2-nitroanilino)acetyl]morpholin-3-yl]ethanone is CN(CC(=O)N1CCOCC1CC(=O)c1ccco1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-(furan-2-yl)-2-[4-[2-(N-methyl-2-nitroanilino)acetyl]morpholin-3-yl]ethanone?
The InChIKey is AUHCPUMTCVWRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6/c1-20(15-5-2-3-6-16(15)22(25)26)12-19(24)21-8-10-27-13-14(21)11-17(23)18-7-4-9-28-18/h2-7,9,14H,8,10-13H2,1H3.
What are the key properties of 1-(furan-2-yl)-2-[4-[2-(N-methyl-2-nitroanilino)acetyl]morpholin-3-yl]ethanone?
1-(furan-2-yl)-2-[4-[2-(N-methyl-2-nitroanilino)acetyl]morpholin-3-yl]ethanone has a molecular weight of 387.39 g/mol, XLogP of 2.12, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-[4-[2-(N-methyl-2-nitroanilino)acetyl]morpholin-3-yl]ethanone is sourced from PubChem (CID 71848355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).