(2R)-2-naphthalen-2-yloxy-N-[(E)-1-(3-nitrophenyl)ethylideneamino]propanamide

C21H19N3O4 — CID 8757437

IUPAC(2R)-2-naphthalen-2-yloxy-N-[(E)-1-(3-nitrophenyl)ethylideneamino]propanamide
SMILESC/C(=N\NC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C21H19N3O4/c1-14(17-8-5-9-19(12-17)24(26)27)22-23-21(25)15(2)28-20-11-10-16-6-3-4-7-18(16)13-20/h3-13,15H,1-2H3,(H,23,25)/b22-14+/t15-/m1/s1
InChIKeyORYQWTZLSWOXSJ-QQHUYRGFSA-N
MW377.40 g/mol
LogP4.06
Rot. Bonds6

About (2R)-2-naphthalen-2-yloxy-N-[(E)-1-(3-nitrophenyl)ethylideneamino]propanamide

(2R)-2-naphthalen-2-yloxy-N-[(E)-1-(3-nitrophenyl)ethylideneamino]propanamide (PubChem CID 8757437) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is (2R)-2-naphthalen-2-yloxy-N-[(E)-1-(3-nitrophenyl)ethylideneamino]propanamide.

Molecular Properties

Compound Name(2R)-2-naphthalen-2-yloxy-N-[(E)-1-(3-nitrophenyl)ethylideneamino]propanamide
PubChem CID8757437
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name(2R)-2-naphthalen-2-yloxy-N-[(E)-1-(3-nitrophenyl)ethylideneamino]propanamide
SMILESC/C(=N\NC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C21H19N3O4/c1-14(17-8-5-9-19(12-17)24(26)27)22-23-21(25)15(2)28-20-11-10-16-6-3-4-7-18(16)13-20/h3-13,15H,1-2H3,(H,23,25)/b22-14+/t15-/m1/s1
InChIKeyORYQWTZLSWOXSJ-QQHUYRGFSA-N
XLogP4.06
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-(3,4-dimethylphenoxy)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]propanamide
CID 17169274
N,N'-bis[(Z)-1-(3-nitrophenyl)ethylideneamino]oxamide
CID 6310047
(2R)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-naphthalen-2-yloxypropanamide
CID 135794374
3-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide
CID 2790127
5-[(Z)-C-methyl-N-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]carbonimidoyl]thiophene-2-carboxylate
CID 8860888
N'-[(Z)-1-(3-nitrophenyl)ethylideneamino]-N-propan-2-yloxamide
CID 9351495
(2R)-N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxypropanamide
CID 8757489
N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]-3,5-dinitrobenzamide
CID 4940286
naphthalen-2-yl 3-nitrobenzoate
CID 591453
N-(fluoren-9-ylideneamino)-2-(3-nitrophenoxy)propanamide
CID 5083681
4-(2-methylpropanoylamino)-N-[1-(3-nitrophenyl)ethylideneamino]benzamide
CID 4925093
[(Z)-1-(3-nitrophenyl)ethylideneamino]thiourea
CID 5391961

Frequently Asked Questions

What is the IUPAC name of (2R)-2-naphthalen-2-yloxy-N-[(E)-1-(3-nitrophenyl)ethylideneamino]propanamide?
The IUPAC name of (2R)-2-naphthalen-2-yloxy-N-[(E)-1-(3-nitrophenyl)ethylideneamino]propanamide (CID 8757437) is (2R)-2-naphthalen-2-yloxy-N-[(E)-1-(3-nitrophenyl)ethylideneamino]propanamide.
What is the SMILES notation for (2R)-2-naphthalen-2-yloxy-N-[(E)-1-(3-nitrophenyl)ethylideneamino]propanamide?
The canonical SMILES for (2R)-2-naphthalen-2-yloxy-N-[(E)-1-(3-nitrophenyl)ethylideneamino]propanamide is C/C(=N\NC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of (2R)-2-naphthalen-2-yloxy-N-[(E)-1-(3-nitrophenyl)ethylideneamino]propanamide?
The InChIKey is ORYQWTZLSWOXSJ-QQHUYRGFSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-14(17-8-5-9-19(12-17)24(26)27)22-23-21(25)15(2)28-20-11-10-16-6-3-4-7-18(16)13-20/h3-13,15H,1-2H3,(H,23,25)/b22-14+/t15-/m1/s1.
What are the key properties of (2R)-2-naphthalen-2-yloxy-N-[(E)-1-(3-nitrophenyl)ethylideneamino]propanamide?
(2R)-2-naphthalen-2-yloxy-N-[(E)-1-(3-nitrophenyl)ethylideneamino]propanamide has a molecular weight of 377.40 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-naphthalen-2-yloxy-N-[(E)-1-(3-nitrophenyl)ethylideneamino]propanamide is sourced from PubChem (CID 8757437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).