(E)-N-(2-naphthalen-1-yloxyethyl)-3-(4-nitrophenyl)prop-2-enamide

C21H18N2O4 — CID 94848384

IUPAC(E)-N-(2-naphthalen-1-yloxyethyl)-3-(4-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCOc1cccc2ccccc12
InChIInChI=1S/C21H18N2O4/c24-21(13-10-16-8-11-18(12-9-16)23(25)26)22-14-15-27-20-7-3-5-17-4-1-2-6-19(17)20/h1-13H,14-15H2,(H,22,24)/b13-10+
InChIKeyKLCRWLRZJLFDPO-JLHYYAGUSA-N
MW362.39 g/mol
LogP3.96
Rot. Bonds7

About (E)-N-(2-naphthalen-1-yloxyethyl)-3-(4-nitrophenyl)prop-2-enamide

(E)-N-(2-naphthalen-1-yloxyethyl)-3-(4-nitrophenyl)prop-2-enamide (PubChem CID 94848384) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is (E)-N-(2-naphthalen-1-yloxyethyl)-3-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-naphthalen-1-yloxyethyl)-3-(4-nitrophenyl)prop-2-enamide
PubChem CID94848384
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name(E)-N-(2-naphthalen-1-yloxyethyl)-3-(4-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCOc1cccc2ccccc12
InChIInChI=1S/C21H18N2O4/c24-21(13-10-16-8-11-18(12-9-16)23(25)26)22-14-15-27-20-7-3-5-17-4-1-2-6-19(17)20/h1-13H,14-15H2,(H,22,24)/b13-10+
InChIKeyKLCRWLRZJLFDPO-JLHYYAGUSA-N
XLogP3.96
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_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

(E)-N-(2-naphthalen-1-yloxyethyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 19174605
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-nitrophenyl)prop-2-enamide
CID 613031
N-(2-naphthalen-1-yloxyethyl)-2-(4-nitrophenoxy)acetamide
CID 19174635
(E)-N-[2-(2-fluorophenoxy)ethyl]-3-(3-nitrophenyl)prop-2-enamide
CID 7927597
N-[2-(4-chlorophenoxy)ethyl]-3-(4-nitrophenyl)prop-2-enamide
CID 3127033
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-(2-naphthalen-1-yloxyethyl)prop-2-enamide
CID 19174613
3-(4-nitrophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide
CID 2873741
(E)-3-(4-nitrophenyl)-N-propylprop-2-enamide
CID 6259038
(E)-N'-(2-naphthalen-1-ylacetyl)-3-(4-nitrophenyl)prop-2-enehydrazide
CID 17187055
(Z)-N-(2-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 20834743
N-(2-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 3127031
N-[3-(dimethylamino)propyl]-3-(4-nitrophenyl)prop-2-enamide
CID 2873871

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-naphthalen-1-yloxyethyl)-3-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-naphthalen-1-yloxyethyl)-3-(4-nitrophenyl)prop-2-enamide (CID 94848384) is (E)-N-(2-naphthalen-1-yloxyethyl)-3-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-naphthalen-1-yloxyethyl)-3-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-naphthalen-1-yloxyethyl)-3-(4-nitrophenyl)prop-2-enamide is O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCOc1cccc2ccccc12.
What is the InChIKey of (E)-N-(2-naphthalen-1-yloxyethyl)-3-(4-nitrophenyl)prop-2-enamide?
The InChIKey is KLCRWLRZJLFDPO-JLHYYAGUSA-N. The full InChI is InChI=1S/C21H18N2O4/c24-21(13-10-16-8-11-18(12-9-16)23(25)26)22-14-15-27-20-7-3-5-17-4-1-2-6-19(17)20/h1-13H,14-15H2,(H,22,24)/b13-10+.
What are the key properties of (E)-N-(2-naphthalen-1-yloxyethyl)-3-(4-nitrophenyl)prop-2-enamide?
(E)-N-(2-naphthalen-1-yloxyethyl)-3-(4-nitrophenyl)prop-2-enamide has a molecular weight of 362.39 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-naphthalen-1-yloxyethyl)-3-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 94848384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).