N-[(2-hydroxy-4-methylphenyl)methylideneamino]-2-(3-nitrophenoxy)acetamide

C16H15N3O5 — CID 758737

IUPACN-[(2-hydroxy-4-methylphenyl)methylideneamino]-2-(3-nitrophenoxy)acetamide
SMILESCc1ccc(C=NNC(=O)COc2cccc([N+](=O)[O-])c2)c(O)c1
InChIInChI=1S/C16H15N3O5/c1-11-5-6-12(15(20)7-11)9-17-18-16(21)10-24-14-4-2-3-13(8-14)19(22)23/h2-9,20H,10H2,1H3,(H,18,21)
InChIKeyNAGJBCVWQRNLDO-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.14
Rot. Bonds6

About N-[(2-hydroxy-4-methylphenyl)methylideneamino]-2-(3-nitrophenoxy)acetamide

N-[(2-hydroxy-4-methylphenyl)methylideneamino]-2-(3-nitrophenoxy)acetamide (PubChem CID 758737) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is N-[(2-hydroxy-4-methylphenyl)methylideneamino]-2-(3-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-4-methylphenyl)methylideneamino]-2-(3-nitrophenoxy)acetamide
PubChem CID758737
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC NameN-[(2-hydroxy-4-methylphenyl)methylideneamino]-2-(3-nitrophenoxy)acetamide
SMILESCc1ccc(C=NNC(=O)COc2cccc([N+](=O)[O-])c2)c(O)c1
InChIInChI=1S/C16H15N3O5/c1-11-5-6-12(15(20)7-11)9-17-18-16(21)10-24-14-4-2-3-13(8-14)19(22)23/h2-9,20H,10H2,1H3,(H,18,21)
InChIKeyNAGJBCVWQRNLDO-UHFFFAOYSA-N
XLogP2.14
TPSA114.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-(4-methylphenoxy)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5404935
2-(3-fluorophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135557639
2-(3-bromophenoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 4216136
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 135852675
2-(3-methoxyphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 19208624
2-(3-nitrophenoxy)-N-(pyridin-2-ylmethylideneamino)acetamide
CID 570404
3-[(Z)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]-4-nitrophenolate
CID 6921972
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 135533086
N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(3-chlorophenoxy)acetamide
CID 96881501
2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-4-methylphenyl)methylideneamino]acetamide
CID 780702
N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(3-nitrophenoxy)acetamide
CID 5009007
2-(2,5-dimethylphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 6898857

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-4-methylphenyl)methylideneamino]-2-(3-nitrophenoxy)acetamide?
The IUPAC name of N-[(2-hydroxy-4-methylphenyl)methylideneamino]-2-(3-nitrophenoxy)acetamide (CID 758737) is N-[(2-hydroxy-4-methylphenyl)methylideneamino]-2-(3-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(2-hydroxy-4-methylphenyl)methylideneamino]-2-(3-nitrophenoxy)acetamide?
The canonical SMILES for N-[(2-hydroxy-4-methylphenyl)methylideneamino]-2-(3-nitrophenoxy)acetamide is Cc1ccc(C=NNC(=O)COc2cccc([N+](=O)[O-])c2)c(O)c1.
What is the InChIKey of N-[(2-hydroxy-4-methylphenyl)methylideneamino]-2-(3-nitrophenoxy)acetamide?
The InChIKey is NAGJBCVWQRNLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5/c1-11-5-6-12(15(20)7-11)9-17-18-16(21)10-24-14-4-2-3-13(8-14)19(22)23/h2-9,20H,10H2,1H3,(H,18,21).
What are the key properties of N-[(2-hydroxy-4-methylphenyl)methylideneamino]-2-(3-nitrophenoxy)acetamide?
N-[(2-hydroxy-4-methylphenyl)methylideneamino]-2-(3-nitrophenoxy)acetamide has a molecular weight of 329.31 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-4-methylphenyl)methylideneamino]-2-(3-nitrophenoxy)acetamide is sourced from PubChem (CID 758737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).