N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide

C17H17N3O6 — CID 4050443

IUPACN-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide
SMILESCOc1cccc(C=NNC(=O)C(C)Oc2ccc([N+](=O)[O-])cc2)c1O
InChIInChI=1S/C17H17N3O6/c1-11(26-14-8-6-13(7-9-14)20(23)24)17(22)19-18-10-12-4-3-5-15(25-2)16(12)21/h3-11,21H,1-2H3,(H,19,22)
InChIKeyNVCOFYGCQMIRIH-UHFFFAOYSA-N
MW359.34 g/mol
LogP2.23
Rot. Bonds7

About N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide

N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide (PubChem CID 4050443) has the molecular formula C17H17N3O6 and a molecular weight of 359.34 g/mol. Its IUPAC name is N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide.

Molecular Properties

Compound NameN-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide
PubChem CID4050443
Molecular FormulaC17H17N3O6
Molecular Weight359.34 g/mol
Exact Mass359.11
IUPAC NameN-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide
SMILESCOc1cccc(C=NNC(=O)C(C)Oc2ccc([N+](=O)[O-])cc2)c1O
InChIInChI=1S/C17H17N3O6/c1-11(26-14-8-6-13(7-9-14)20(23)24)17(22)19-18-10-12-4-3-5-15(25-2)16(12)21/h3-11,21H,1-2H3,(H,19,22)
InChIKeyNVCOFYGCQMIRIH-UHFFFAOYSA-N
XLogP2.23
TPSA123.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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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Related Compounds

N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-nitrobenzamide
CID 3983517
N-[(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide
CID 5147897
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide
CID 135659369
(2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide
CID 136766986
N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide
CID 4595185
2-(4-bromophenoxy)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]propanamide
CID 135472513
(2R)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)propanamide
CID 135682567
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 5055270
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136766974
(2R)-2-(3-chlorophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]propanamide
CID 135783828
2-methoxy-6-[(E)-[[4-(4-methoxyanilino)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 135479360
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-nitroacetamide
CID 135645954

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide?
The IUPAC name of N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide (CID 4050443) is N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide.
What is the SMILES notation for N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide?
The canonical SMILES for N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide is COc1cccc(C=NNC(=O)C(C)Oc2ccc([N+](=O)[O-])cc2)c1O.
What is the InChIKey of N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide?
The InChIKey is NVCOFYGCQMIRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O6/c1-11(26-14-8-6-13(7-9-14)20(23)24)17(22)19-18-10-12-4-3-5-15(25-2)16(12)21/h3-11,21H,1-2H3,(H,19,22).
What are the key properties of N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide?
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide has a molecular weight of 359.34 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide is sourced from PubChem (CID 4050443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).