N-[4-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]propanamide

C18H19N3O5 — CID 3623782

IUPACN-[4-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]propanamide
SMILESCCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(NC(=O)CC)cc2)c1O
InChIInChI=1S/C18H19N3O5/c1-3-17(22)20-14-7-5-13(6-8-14)19-11-12-9-15(21(24)25)10-16(18(12)23)26-4-2/h5-11,23H,3-4H2,1-2H3,(H,20,22)/b19-11+
InChIKeyRKXMYLKTWKONMA-YBFXNURJSA-N
MW357.37 g/mol
LogP3.80
Rot. Bonds7

About N-[4-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]propanamide

N-[4-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]propanamide (PubChem CID 3623782) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-[4-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]propanamide
PubChem CID3623782
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN-[4-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]propanamide
SMILESCCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(NC(=O)CC)cc2)c1O
InChIInChI=1S/C18H19N3O5/c1-3-17(22)20-14-7-5-13(6-8-14)19-11-12-9-15(21(24)25)10-16(18(12)23)26-4-2/h5-11,23H,3-4H2,1-2H3,(H,20,22)/b19-11+
InChIKeyRKXMYLKTWKONMA-YBFXNURJSA-N
XLogP3.80
TPSA114.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.80
H-Bond Donors ≤ 52
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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Related Compounds

N-[4-chloro-3-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]butanamide
CID 4508373
5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 3258918
N-[(E)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 135643368
2-(4-bromo-2-nitrophenoxy)-N-[(E)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135613874
(2S)-N-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 135562392
N-[(E)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 135578890
2-(2,5-dimethylphenoxy)-N-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 3854518
N-[(E)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]thiophene-2-carboxamide
CID 135643043
N-[(E)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 135590230
N-[2-[(2E)-2-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide
CID 135613895
2-ethoxy-6-[[4-(4-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-4-nitrophenol
CID 4585781
2-ethoxy-6-[[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]-4-nitrophenol
CID 135840612

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]propanamide?
The IUPAC name of N-[4-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]propanamide (CID 3623782) is N-[4-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]propanamide.
What is the SMILES notation for N-[4-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]propanamide?
The canonical SMILES for N-[4-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]propanamide is CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(NC(=O)CC)cc2)c1O.
What is the InChIKey of N-[4-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]propanamide?
The InChIKey is RKXMYLKTWKONMA-YBFXNURJSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-3-17(22)20-14-7-5-13(6-8-14)19-11-12-9-15(21(24)25)10-16(18(12)23)26-4-2/h5-11,23H,3-4H2,1-2H3,(H,20,22)/b19-11+.
What are the key properties of N-[4-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]propanamide?
N-[4-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]propanamide has a molecular weight of 357.37 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]propanamide is sourced from PubChem (CID 3623782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).