2-naphthalen-2-yloxy-N-[(5-nitrofuran-2-yl)methylideneamino]propanamide

C18H15N3O5 — CID 3920293

IUPAC2-naphthalen-2-yloxy-N-[(5-nitrofuran-2-yl)methylideneamino]propanamide
SMILESCC(Oc1ccc2ccccc2c1)C(=O)NN=Cc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C18H15N3O5/c1-12(25-15-7-6-13-4-2-3-5-14(13)10-15)18(22)20-19-11-16-8-9-17(26-16)21(23)24/h2-12H,1H3,(H,20,22)
InChIKeyHXMMQJFDPQZBSV-UHFFFAOYSA-N
MW353.33 g/mol
LogP3.26
Rot. Bonds6

About 2-naphthalen-2-yloxy-N-[(5-nitrofuran-2-yl)methylideneamino]propanamide

2-naphthalen-2-yloxy-N-[(5-nitrofuran-2-yl)methylideneamino]propanamide (PubChem CID 3920293) has the molecular formula C18H15N3O5 and a molecular weight of 353.33 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-N-[(5-nitrofuran-2-yl)methylideneamino]propanamide.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-N-[(5-nitrofuran-2-yl)methylideneamino]propanamide
PubChem CID3920293
Molecular FormulaC18H15N3O5
Molecular Weight353.33 g/mol
Exact Mass353.10
IUPAC Name2-naphthalen-2-yloxy-N-[(5-nitrofuran-2-yl)methylideneamino]propanamide
SMILESCC(Oc1ccc2ccccc2c1)C(=O)NN=Cc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C18H15N3O5/c1-12(25-15-7-6-13-4-2-3-5-14(13)10-15)18(22)20-19-11-16-8-9-17(26-16)21(23)24/h2-12H,1H3,(H,20,22)
InChIKeyHXMMQJFDPQZBSV-UHFFFAOYSA-N
XLogP3.26
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 9395177
N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4939956
N-[(4-methylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4939949
(2R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 5458000
N-(ethylideneamino)-2-naphthalen-2-yloxypropanamide
CID 4633830
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 135472410
2-[4-[(Z)-[[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinylidene]methyl]phenoxy]acetate
CID 7167427
(2R)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5397742
(2S)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5397743
N-[(3-bromophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4061688
N-[(5-methylthiophen-2-yl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4939947
tert-butyl N-[(E)-(5-nitrofuran-2-yl)methylideneamino]carbamate
CID 6036448

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-N-[(5-nitrofuran-2-yl)methylideneamino]propanamide?
The IUPAC name of 2-naphthalen-2-yloxy-N-[(5-nitrofuran-2-yl)methylideneamino]propanamide (CID 3920293) is 2-naphthalen-2-yloxy-N-[(5-nitrofuran-2-yl)methylideneamino]propanamide.
What is the SMILES notation for 2-naphthalen-2-yloxy-N-[(5-nitrofuran-2-yl)methylideneamino]propanamide?
The canonical SMILES for 2-naphthalen-2-yloxy-N-[(5-nitrofuran-2-yl)methylideneamino]propanamide is CC(Oc1ccc2ccccc2c1)C(=O)NN=Cc1ccc([N+](=O)[O-])o1.
What is the InChIKey of 2-naphthalen-2-yloxy-N-[(5-nitrofuran-2-yl)methylideneamino]propanamide?
The InChIKey is HXMMQJFDPQZBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O5/c1-12(25-15-7-6-13-4-2-3-5-14(13)10-15)18(22)20-19-11-16-8-9-17(26-16)21(23)24/h2-12H,1H3,(H,20,22).
What are the key properties of 2-naphthalen-2-yloxy-N-[(5-nitrofuran-2-yl)methylideneamino]propanamide?
2-naphthalen-2-yloxy-N-[(5-nitrofuran-2-yl)methylideneamino]propanamide has a molecular weight of 353.33 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-N-[(5-nitrofuran-2-yl)methylideneamino]propanamide is sourced from PubChem (CID 3920293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).