(E)-N-[2-(4-methylphenoxy)ethyl]-3-(2-nitrophenyl)prop-2-enamide

C18H18N2O4 — CID 9366323

IUPAC(E)-N-[2-(4-methylphenoxy)ethyl]-3-(2-nitrophenyl)prop-2-enamide
SMILESCc1ccc(OCCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H18N2O4/c1-14-6-9-16(10-7-14)24-13-12-19-18(21)11-8-15-4-2-3-5-17(15)20(22)23/h2-11H,12-13H2,1H3,(H,19,21)/b11-8+
InChIKeyNGYVNRLPFHBVRY-DHZHZOJOSA-N
MW326.35 g/mol
LogP3.11
Rot. Bonds7

About (E)-N-[2-(4-methylphenoxy)ethyl]-3-(2-nitrophenyl)prop-2-enamide

(E)-N-[2-(4-methylphenoxy)ethyl]-3-(2-nitrophenyl)prop-2-enamide (PubChem CID 9366323) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is (E)-N-[2-(4-methylphenoxy)ethyl]-3-(2-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(4-methylphenoxy)ethyl]-3-(2-nitrophenyl)prop-2-enamide
PubChem CID9366323
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name(E)-N-[2-(4-methylphenoxy)ethyl]-3-(2-nitrophenyl)prop-2-enamide
SMILESCc1ccc(OCCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C18H18N2O4/c1-14-6-9-16(10-7-14)24-13-12-19-18(21)11-8-15-4-2-3-5-17(15)20(22)23/h2-11H,12-13H2,1H3,(H,19,21)/b11-8+
InChIKeyNGYVNRLPFHBVRY-DHZHZOJOSA-N
XLogP3.11
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.11
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-(2-phenoxyethyl)prop-2-enamide
CID 26676963
(E)-3-(2-ethoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide
CID 9366008
ethyl 3-[3-(2-nitrophenyl)prop-2-enoylamino]propanoate
CID 76930238
N-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 690173
(Z)-N-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 2303612
(E)-3-(2-nitrophenyl)-N-octylprop-2-enamide
CID 70513240
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-(2-nitrophenyl)prop-2-enamide
CID 72685712
(E)-N-(5-hydroxypentyl)-3-(2-nitrophenyl)prop-2-enamide
CID 107319129
N-[2-(4-methylphenoxy)ethyl]hexa-2,4-dienamide
CID 75266228
(E)-3-(2-nitrophenyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]prop-2-enamide
CID 31174918
(E)-3-(2-nitrophenyl)-N-pent-4-ynylprop-2-enamide
CID 103709018
(E)-N-[(2-methylphenyl)methyl]-3-(2-nitrophenyl)prop-2-enamide
CID 9104688

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(4-methylphenoxy)ethyl]-3-(2-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(4-methylphenoxy)ethyl]-3-(2-nitrophenyl)prop-2-enamide (CID 9366323) is (E)-N-[2-(4-methylphenoxy)ethyl]-3-(2-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(4-methylphenoxy)ethyl]-3-(2-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(4-methylphenoxy)ethyl]-3-(2-nitrophenyl)prop-2-enamide is Cc1ccc(OCCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of (E)-N-[2-(4-methylphenoxy)ethyl]-3-(2-nitrophenyl)prop-2-enamide?
The InChIKey is NGYVNRLPFHBVRY-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-14-6-9-16(10-7-14)24-13-12-19-18(21)11-8-15-4-2-3-5-17(15)20(22)23/h2-11H,12-13H2,1H3,(H,19,21)/b11-8+.
What are the key properties of (E)-N-[2-(4-methylphenoxy)ethyl]-3-(2-nitrophenyl)prop-2-enamide?
(E)-N-[2-(4-methylphenoxy)ethyl]-3-(2-nitrophenyl)prop-2-enamide has a molecular weight of 326.35 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(4-methylphenoxy)ethyl]-3-(2-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 9366323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).