N-[(E)-(8-methoxy-2,3-dihydrochromen-4-ylidene)amino]-2-(4-nitrophenoxy)propanamide

C19H19N3O6 — CID 6029866

IUPACN-[(E)-(8-methoxy-2,3-dihydrochromen-4-ylidene)amino]-2-(4-nitrophenoxy)propanamide
SMILESCOc1cccc2c1OCC/C2=N\NC(=O)C(C)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H19N3O6/c1-12(28-14-8-6-13(7-9-14)22(24)25)19(23)21-20-16-10-11-27-18-15(16)4-3-5-17(18)26-2/h3-9,12H,10-11H2,1-2H3,(H,21,23)/b20-16+
InChIKeyVVBHDCFBOOAKIH-CAPFRKAQSA-N
MW385.38 g/mol
LogP2.67
Rot. Bonds6

About N-[(E)-(8-methoxy-2,3-dihydrochromen-4-ylidene)amino]-2-(4-nitrophenoxy)propanamide

N-[(E)-(8-methoxy-2,3-dihydrochromen-4-ylidene)amino]-2-(4-nitrophenoxy)propanamide (PubChem CID 6029866) has the molecular formula C19H19N3O6 and a molecular weight of 385.38 g/mol. Its IUPAC name is N-[(E)-(8-methoxy-2,3-dihydrochromen-4-ylidene)amino]-2-(4-nitrophenoxy)propanamide.

Molecular Properties

Compound NameN-[(E)-(8-methoxy-2,3-dihydrochromen-4-ylidene)amino]-2-(4-nitrophenoxy)propanamide
PubChem CID6029866
Molecular FormulaC19H19N3O6
Molecular Weight385.38 g/mol
Exact Mass385.13
IUPAC NameN-[(E)-(8-methoxy-2,3-dihydrochromen-4-ylidene)amino]-2-(4-nitrophenoxy)propanamide
SMILESCOc1cccc2c1OCC/C2=N\NC(=O)C(C)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H19N3O6/c1-12(28-14-8-6-13(7-9-14)22(24)25)19(23)21-20-16-10-11-27-18-15(16)4-3-5-17(18)26-2/h3-9,12H,10-11H2,1-2H3,(H,21,23)/b20-16+
InChIKeyVVBHDCFBOOAKIH-CAPFRKAQSA-N
XLogP2.67
TPSA112.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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)-(8-methoxy-2,3-dihydrochromen-4-ylidene)amino]-2-(4-nitrophenoxy)propanamide?
The IUPAC name of N-[(E)-(8-methoxy-2,3-dihydrochromen-4-ylidene)amino]-2-(4-nitrophenoxy)propanamide (CID 6029866) is N-[(E)-(8-methoxy-2,3-dihydrochromen-4-ylidene)amino]-2-(4-nitrophenoxy)propanamide.
What is the SMILES notation for N-[(E)-(8-methoxy-2,3-dihydrochromen-4-ylidene)amino]-2-(4-nitrophenoxy)propanamide?
The canonical SMILES for N-[(E)-(8-methoxy-2,3-dihydrochromen-4-ylidene)amino]-2-(4-nitrophenoxy)propanamide is COc1cccc2c1OCC/C2=N\NC(=O)C(C)Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(E)-(8-methoxy-2,3-dihydrochromen-4-ylidene)amino]-2-(4-nitrophenoxy)propanamide?
The InChIKey is VVBHDCFBOOAKIH-CAPFRKAQSA-N. The full InChI is InChI=1S/C19H19N3O6/c1-12(28-14-8-6-13(7-9-14)22(24)25)19(23)21-20-16-10-11-27-18-15(16)4-3-5-17(18)26-2/h3-9,12H,10-11H2,1-2H3,(H,21,23)/b20-16+.
What are the key properties of N-[(E)-(8-methoxy-2,3-dihydrochromen-4-ylidene)amino]-2-(4-nitrophenoxy)propanamide?
N-[(E)-(8-methoxy-2,3-dihydrochromen-4-ylidene)amino]-2-(4-nitrophenoxy)propanamide has a molecular weight of 385.38 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(8-methoxy-2,3-dihydrochromen-4-ylidene)amino]-2-(4-nitrophenoxy)propanamide is sourced from PubChem (CID 6029866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).