(Z)-N-(2,4-dimethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide

C17H16N2O5 — CID 2268412

IUPAC(Z)-N-(2,4-dimethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)c(OC)c1
InChIInChI=1S/C17H16N2O5/c1-23-14-7-8-15(16(11-14)24-2)18-17(20)9-6-12-4-3-5-13(10-12)19(21)22/h3-11H,1-2H3,(H,18,20)/b9-6-
InChIKeyOCPRLZMSCNNWQP-TWGQIWQCSA-N
MW328.32 g/mol
LogP3.26
Rot. Bonds6

About (Z)-N-(2,4-dimethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide

(Z)-N-(2,4-dimethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide (PubChem CID 2268412) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is (Z)-N-(2,4-dimethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(2,4-dimethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide
PubChem CID2268412
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name(Z)-N-(2,4-dimethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)c(OC)c1
InChIInChI=1S/C17H16N2O5/c1-23-14-7-8-15(16(11-14)24-2)18-17(20)9-6-12-4-3-5-13(10-12)19(21)22/h3-11H,1-2H3,(H,18,20)/b9-6-
InChIKeyOCPRLZMSCNNWQP-TWGQIWQCSA-N
XLogP3.26
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.26
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

N-(4-methoxy-2-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 3410037
N-(4-methoxyphenyl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]benzamide
CID 6020571
N-(2,4-dimethoxyphenyl)-N'-[(Z)-(3-nitrophenyl)methylideneamino]oxamide
CID 6017944
N-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 732460
(E)-N-(4-methoxy-3-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 17101982
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide
CID 4117438
N-(2-hydroxy-4,5-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 3713167
N-(2-chloro-4-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 5065196
3-(2,4-dimethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide
CID 1178404
N-(2-methoxy-4-nitrophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 2793351
(2-acetyl-5-methoxyphenyl) (E)-3-(3-nitrophenyl)prop-2-enoate
CID 7987948
N-[2-(difluoromethoxy)phenyl]-3-(3-nitrophenyl)prop-2-enamide
CID 953075

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2,4-dimethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide?
The IUPAC name of (Z)-N-(2,4-dimethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide (CID 2268412) is (Z)-N-(2,4-dimethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (Z)-N-(2,4-dimethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide?
The canonical SMILES for (Z)-N-(2,4-dimethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide is COc1ccc(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)c(OC)c1.
What is the InChIKey of (Z)-N-(2,4-dimethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide?
The InChIKey is OCPRLZMSCNNWQP-TWGQIWQCSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-23-14-7-8-15(16(11-14)24-2)18-17(20)9-6-12-4-3-5-13(10-12)19(21)22/h3-11H,1-2H3,(H,18,20)/b9-6-.
What are the key properties of (Z)-N-(2,4-dimethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide?
(Z)-N-(2,4-dimethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide has a molecular weight of 328.32 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2,4-dimethoxyphenyl)-3-(3-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 2268412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).