N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-2-(2-nitrophenoxy)propanamide

C19H19N3O4 — CID 51060951

IUPACN-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-2-(2-nitrophenoxy)propanamide
SMILESCC(=C/c1ccccc1)/C=N/NC(=O)C(C)Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H19N3O4/c1-14(12-16-8-4-3-5-9-16)13-20-21-19(23)15(2)26-18-11-7-6-10-17(18)22(24)25/h3-13,15H,1-2H3,(H,21,23)/b14-12-,20-13+
InChIKeyZHYGRGLMTRVDEC-RUKGVYQZSA-N
MW353.38 g/mol
LogP3.57
Rot. Bonds7

About N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-2-(2-nitrophenoxy)propanamide

N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-2-(2-nitrophenoxy)propanamide (PubChem CID 51060951) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-2-(2-nitrophenoxy)propanamide.

Molecular Properties

Compound NameN-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-2-(2-nitrophenoxy)propanamide
PubChem CID51060951
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-2-(2-nitrophenoxy)propanamide
SMILESCC(=C/c1ccccc1)/C=N/NC(=O)C(C)Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H19N3O4/c1-14(12-16-8-4-3-5-9-16)13-20-21-19(23)15(2)26-18-11-7-6-10-17(18)22(24)25/h3-13,15H,1-2H3,(H,21,23)/b14-12-,20-13+
InChIKeyZHYGRGLMTRVDEC-RUKGVYQZSA-N
XLogP3.57
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-2-(2-nitrophenoxy)propanamide?
The IUPAC name of N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-2-(2-nitrophenoxy)propanamide (CID 51060951) is N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-2-(2-nitrophenoxy)propanamide.
What is the SMILES notation for N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-2-(2-nitrophenoxy)propanamide?
The canonical SMILES for N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-2-(2-nitrophenoxy)propanamide is CC(=C/c1ccccc1)/C=N/NC(=O)C(C)Oc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-2-(2-nitrophenoxy)propanamide?
The InChIKey is ZHYGRGLMTRVDEC-RUKGVYQZSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-14(12-16-8-4-3-5-9-16)13-20-21-19(23)15(2)26-18-11-7-6-10-17(18)22(24)25/h3-13,15H,1-2H3,(H,21,23)/b14-12-,20-13+.
What are the key properties of N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-2-(2-nitrophenoxy)propanamide?
N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-2-(2-nitrophenoxy)propanamide has a molecular weight of 353.38 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-2-(2-nitrophenoxy)propanamide is sourced from PubChem (CID 51060951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).