(E)-N-(4-methoxyphenyl)-2-methyl-3-(4-nitrophenyl)prop-2-enamide

C17H16N2O4 — CID 6112838

IUPAC(E)-N-(4-methoxyphenyl)-2-methyl-3-(4-nitrophenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H16N2O4/c1-12(11-13-3-7-15(8-4-13)19(21)22)17(20)18-14-5-9-16(23-2)10-6-14/h3-11H,1-2H3,(H,18,20)/b12-11+
InChIKeySDHUJHXSBGFHKB-VAWYXSNFSA-N
MW312.33 g/mol
LogP3.65
Rot. Bonds5

About (E)-N-(4-methoxyphenyl)-2-methyl-3-(4-nitrophenyl)prop-2-enamide

(E)-N-(4-methoxyphenyl)-2-methyl-3-(4-nitrophenyl)prop-2-enamide (PubChem CID 6112838) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is (E)-N-(4-methoxyphenyl)-2-methyl-3-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-methoxyphenyl)-2-methyl-3-(4-nitrophenyl)prop-2-enamide
PubChem CID6112838
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name(E)-N-(4-methoxyphenyl)-2-methyl-3-(4-nitrophenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H16N2O4/c1-12(11-13-3-7-15(8-4-13)19(21)22)17(20)18-14-5-9-16(23-2)10-6-14/h3-11H,1-2H3,(H,18,20)/b12-11+
InChIKeySDHUJHXSBGFHKB-VAWYXSNFSA-N
XLogP3.65
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-(4-methoxyphenyl)-4-nitrobenzamide
CID 532159
1-(4-methoxyphenyl)-3-(4-nitrophenyl)thiourea
CID 13237599
N-[(4-methoxyphenyl)methyl]-N'-(4-nitrophenyl)oxamide
CID 2889588
methyl 2-(4-nitroanilino)-2-oxoacetate
CID 12778881
N-[(E)-3-(4-bromoanilino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-chloro-4-methoxybenzamide
CID 46497032
2-cyano-3-(4-methoxyphenyl)-N-(3-nitrophenyl)prop-2-enamide
CID 2866105
N-(4-methoxyphenyl)-2-methyl-N'-[(4-nitrophenyl)methylideneamino]propanediamide
CID 3650874
(Z)-2-cyano-N-(4-ethoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 45041756
[2-(4-methoxyanilino)-2-oxoethyl] (E)-3-(4-nitrophenyl)prop-2-enoate
CID 2508502
N-[4-(4-nitrophenoxy)phenyl]acetamide
CID 139084350
(2R)-N-(4-methoxyphenyl)-2-(4-nitrophenyl)propanamide
CID 2111459
(2S)-N-(4-methoxyphenyl)-2-(4-nitrophenyl)propanamide
CID 2111458

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-methoxyphenyl)-2-methyl-3-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-methoxyphenyl)-2-methyl-3-(4-nitrophenyl)prop-2-enamide (CID 6112838) is (E)-N-(4-methoxyphenyl)-2-methyl-3-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-methoxyphenyl)-2-methyl-3-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-methoxyphenyl)-2-methyl-3-(4-nitrophenyl)prop-2-enamide is COc1ccc(NC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of (E)-N-(4-methoxyphenyl)-2-methyl-3-(4-nitrophenyl)prop-2-enamide?
The InChIKey is SDHUJHXSBGFHKB-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-12(11-13-3-7-15(8-4-13)19(21)22)17(20)18-14-5-9-16(23-2)10-6-14/h3-11H,1-2H3,(H,18,20)/b12-11+.
What are the key properties of (E)-N-(4-methoxyphenyl)-2-methyl-3-(4-nitrophenyl)prop-2-enamide?
(E)-N-(4-methoxyphenyl)-2-methyl-3-(4-nitrophenyl)prop-2-enamide has a molecular weight of 312.33 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-methoxyphenyl)-2-methyl-3-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 6112838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).