(E)-N-[2-(2-imidazol-1-ylethoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide

C20H18N4O4 — CID 47789771

IUPAC(E)-N-[2-(2-imidazol-1-ylethoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccccc1OCCn1ccnc1
InChIInChI=1S/C20H18N4O4/c25-20(10-9-16-5-1-3-7-18(16)24(26)27)22-17-6-2-4-8-19(17)28-14-13-23-12-11-21-15-23/h1-12,15H,13-14H2,(H,22,25)/b10-9+
InChIKeyJLGACNOTXBYEJV-MDZDMXLPSA-N
MW378.39 g/mol
LogP3.52
Rot. Bonds8

About (E)-N-[2-(2-imidazol-1-ylethoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide

(E)-N-[2-(2-imidazol-1-ylethoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide (PubChem CID 47789771) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is (E)-N-[2-(2-imidazol-1-ylethoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-imidazol-1-ylethoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide
PubChem CID47789771
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC Name(E)-N-[2-(2-imidazol-1-ylethoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccccc1OCCn1ccnc1
InChIInChI=1S/C20H18N4O4/c25-20(10-9-16-5-1-3-7-18(16)24(26)27)22-17-6-2-4-8-19(17)28-14-13-23-12-11-21-15-23/h1-12,15H,13-14H2,(H,22,25)/b10-9+
InChIKeyJLGACNOTXBYEJV-MDZDMXLPSA-N
XLogP3.52
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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)-3-(2,3-dichlorophenyl)-N-[2-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide
CID 47789670
(E)-3-(4-fluorophenyl)-N-[2-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide
CID 47789776
(E)-N-[2-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylprop-2-enamide
CID 51094332
(E)-3-(2-nitrophenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 26881562
(E)-N-[2-(difluoromethoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide
CID 17395073
(E)-N-[2-(2-imidazol-1-ylethoxy)phenyl]-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 166192411
(E)-N-[2-(2-chlorophenoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide
CID 16568447
(E)-3-(2-nitrophenyl)-N-(2-pyridin-4-ylphenyl)prop-2-enamide
CID 166201662
N-(2-bromophenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 4049212
N-[2-(2-imidazol-1-ylethoxy)phenyl]-4-phenylbenzamide
CID 47789751
(E)-N-(4-methyl-3-pyridinyl)-3-(2-nitrophenyl)prop-2-enamide
CID 56826558
N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 47789441

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2-imidazol-1-ylethoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(2-imidazol-1-ylethoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide (CID 47789771) is (E)-N-[2-(2-imidazol-1-ylethoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2-imidazol-1-ylethoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(2-imidazol-1-ylethoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide is O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccccc1OCCn1ccnc1.
What is the InChIKey of (E)-N-[2-(2-imidazol-1-ylethoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide?
The InChIKey is JLGACNOTXBYEJV-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H18N4O4/c25-20(10-9-16-5-1-3-7-18(16)24(26)27)22-17-6-2-4-8-19(17)28-14-13-23-12-11-21-15-23/h1-12,15H,13-14H2,(H,22,25)/b10-9+.
What are the key properties of (E)-N-[2-(2-imidazol-1-ylethoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide?
(E)-N-[2-(2-imidazol-1-ylethoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide has a molecular weight of 378.39 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2-imidazol-1-ylethoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 47789771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).