(E)-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-nitrophenyl)prop-2-enamide

C21H24N4O3 — CID 18190173

IUPAC(E)-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-nitrophenyl)prop-2-enamide
SMILESCCN1CCN(c2ccccc2NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C21H24N4O3/c1-2-23-13-15-24(16-14-23)20-10-6-4-8-18(20)22-21(26)12-11-17-7-3-5-9-19(17)25(27)28/h3-12H,2,13-16H2,1H3,(H,22,26)/b12-11+
InChIKeyJULJJECCSPLCHZ-VAWYXSNFSA-N
MW380.45 g/mol
LogP3.39
Rot. Bonds6

About (E)-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-nitrophenyl)prop-2-enamide

(E)-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-nitrophenyl)prop-2-enamide (PubChem CID 18190173) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is (E)-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-nitrophenyl)prop-2-enamide
PubChem CID18190173
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name(E)-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-nitrophenyl)prop-2-enamide
SMILESCCN1CCN(c2ccccc2NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C21H24N4O3/c1-2-23-13-15-24(16-14-23)20-10-6-4-8-18(20)22-21(26)12-11-17-7-3-5-9-19(17)25(27)28/h3-12H,2,13-16H2,1H3,(H,22,26)/b12-11+
InChIKeyJULJJECCSPLCHZ-VAWYXSNFSA-N
XLogP3.39
TPSA78.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 39737964
(E)-1-(4-ethylpiperazin-1-yl)-3-(2-nitrophenyl)prop-2-en-1-one
CID 889251
(E)-1-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]-3-(2-nitrophenyl)prop-2-en-1-one
CID 8684853
4-[(E)-3-[2-(4-ethylpiperazin-1-yl)anilino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134002758
(E)-3-(2-nitrophenyl)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 49004967
N-(2-acetylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 73449712
N-(2-bromophenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 4049212
2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]benzamide
CID 6014839
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-3-(4-chloro-3-nitrophenyl)prop-2-enamide
CID 5213193
2-(4-ethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide
CID 22199010
N-[3-(4-methylpiperazin-1-yl)propyl]-3-(2-nitrophenyl)prop-2-enamide
CID 72684591
(E)-N-(2,5-difluorophenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 40650884

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-nitrophenyl)prop-2-enamide (CID 18190173) is (E)-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-nitrophenyl)prop-2-enamide is CCN1CCN(c2ccccc2NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of (E)-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-nitrophenyl)prop-2-enamide?
The InChIKey is JULJJECCSPLCHZ-VAWYXSNFSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-2-23-13-15-24(16-14-23)20-10-6-4-8-18(20)22-21(26)12-11-17-7-3-5-9-19(17)25(27)28/h3-12H,2,13-16H2,1H3,(H,22,26)/b12-11+.
What are the key properties of (E)-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-nitrophenyl)prop-2-enamide?
(E)-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-nitrophenyl)prop-2-enamide has a molecular weight of 380.45 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(2-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 18190173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).