(E)-N-[3-(N-ethylanilino)propyl]-3-(2-nitrophenyl)prop-2-enamide

C20H23N3O3 — CID 24654889

IUPAC(E)-N-[3-(N-ethylanilino)propyl]-3-(2-nitrophenyl)prop-2-enamide
SMILESCCN(CCCNC(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C20H23N3O3/c1-2-22(18-10-4-3-5-11-18)16-8-15-21-20(24)14-13-17-9-6-7-12-19(17)23(25)26/h3-7,9-14H,2,8,15-16H2,1H3,(H,21,24)/b14-13+
InChIKeyFUFMYYOBVVRQER-BUHFOSPRSA-N
MW353.42 g/mol
LogP3.64
Rot. Bonds9

About (E)-N-[3-(N-ethylanilino)propyl]-3-(2-nitrophenyl)prop-2-enamide

(E)-N-[3-(N-ethylanilino)propyl]-3-(2-nitrophenyl)prop-2-enamide (PubChem CID 24654889) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (E)-N-[3-(N-ethylanilino)propyl]-3-(2-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(N-ethylanilino)propyl]-3-(2-nitrophenyl)prop-2-enamide
PubChem CID24654889
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(E)-N-[3-(N-ethylanilino)propyl]-3-(2-nitrophenyl)prop-2-enamide
SMILESCCN(CCCNC(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C20H23N3O3/c1-2-22(18-10-4-3-5-11-18)16-8-15-21-20(24)14-13-17-9-6-7-12-19(17)23(25)26/h3-7,9-14H,2,8,15-16H2,1H3,(H,21,24)/b14-13+
InChIKeyFUFMYYOBVVRQER-BUHFOSPRSA-N
XLogP3.64
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.64
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)-3-(2-nitrophenyl)-N-octylprop-2-enamide
CID 70513240
(E)-N-(5-hydroxypentyl)-3-(2-nitrophenyl)prop-2-enamide
CID 107319129
N-[3-(N-ethylanilino)propyl]-2-(2-nitrophenyl)acetamide
CID 41278296
(E)-3-(2-nitrophenyl)-N-pent-4-ynylprop-2-enamide
CID 103709018
ethyl 3-[3-(2-nitrophenyl)prop-2-enoylamino]propanoate
CID 76930238
N-[3-(4-methylpiperazin-1-yl)propyl]-3-(2-nitrophenyl)prop-2-enamide
CID 72684591
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-(2-nitrophenyl)prop-2-enamide
CID 72685712
(E)-3-(2-nitrophenyl)-N-(2-phenoxyethyl)prop-2-enamide
CID 26676963
(E)-N-[3-(N-ethylanilino)propyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 24654920
(E)-3-(2-chlorophenyl)-N-[3-(N-methylanilino)propyl]prop-2-enamide
CID 99996150
(E)-N-(2-methylprop-2-enyl)-3-(2-nitrophenyl)prop-2-enamide
CID 114618670
1-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]-3-pentylthiourea
CID 9220431

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(N-ethylanilino)propyl]-3-(2-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[3-(N-ethylanilino)propyl]-3-(2-nitrophenyl)prop-2-enamide (CID 24654889) is (E)-N-[3-(N-ethylanilino)propyl]-3-(2-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[3-(N-ethylanilino)propyl]-3-(2-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[3-(N-ethylanilino)propyl]-3-(2-nitrophenyl)prop-2-enamide is CCN(CCCNC(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of (E)-N-[3-(N-ethylanilino)propyl]-3-(2-nitrophenyl)prop-2-enamide?
The InChIKey is FUFMYYOBVVRQER-BUHFOSPRSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-2-22(18-10-4-3-5-11-18)16-8-15-21-20(24)14-13-17-9-6-7-12-19(17)23(25)26/h3-7,9-14H,2,8,15-16H2,1H3,(H,21,24)/b14-13+.
What are the key properties of (E)-N-[3-(N-ethylanilino)propyl]-3-(2-nitrophenyl)prop-2-enamide?
(E)-N-[3-(N-ethylanilino)propyl]-3-(2-nitrophenyl)prop-2-enamide has a molecular weight of 353.42 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(N-ethylanilino)propyl]-3-(2-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 24654889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).