2-(3,4-dimethoxyphenyl)-N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]acetamide

C19H19N3O5 — CID 6883240

IUPAC2-(3,4-dimethoxyphenyl)-N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]acetamide
SMILESCOc1ccc(CC(=O)N/N=C/C=C/c2cccc([N+](=O)[O-])c2)cc1OC
InChIInChI=1S/C19H19N3O5/c1-26-17-9-8-15(12-18(17)27-2)13-19(23)21-20-10-4-6-14-5-3-7-16(11-14)22(24)25/h3-12H,13H2,1-2H3,(H,21,23)/b6-4+,20-10+
InChIKeySBCWZYDVFQSFID-PHNSAVJNSA-N
MW369.38 g/mol
LogP2.97
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]acetamide

2-(3,4-dimethoxyphenyl)-N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]acetamide (PubChem CID 6883240) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]acetamide
PubChem CID6883240
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]acetamide
SMILESCOc1ccc(CC(=O)N/N=C/C=C/c2cccc([N+](=O)[O-])c2)cc1OC
InChIInChI=1S/C19H19N3O5/c1-26-17-9-8-15(12-18(17)27-2)13-19(23)21-20-10-4-6-14-5-3-7-16(11-14)22(24)25/h3-12H,13H2,1-2H3,(H,21,23)/b6-4+,20-10+
InChIKeySBCWZYDVFQSFID-PHNSAVJNSA-N
XLogP2.97
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]acetamide (CID 6883240) is 2-(3,4-dimethoxyphenyl)-N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]acetamide is COc1ccc(CC(=O)N/N=C/C=C/c2cccc([N+](=O)[O-])c2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]acetamide?
The InChIKey is SBCWZYDVFQSFID-PHNSAVJNSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-26-17-9-8-15(12-18(17)27-2)13-19(23)21-20-10-4-6-14-5-3-7-16(11-14)22(24)25/h3-12H,13H2,1-2H3,(H,21,23)/b6-4+,20-10+.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]acetamide?
2-(3,4-dimethoxyphenyl)-N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]acetamide has a molecular weight of 369.38 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]acetamide is sourced from PubChem (CID 6883240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).