N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide

C17H18N4O4 — CID 909373

IUPACN-[[4-(dimethylamino)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide
SMILESCN(C)c1ccc(C=NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H18N4O4/c1-20(2)14-5-3-13(4-6-14)11-18-19-17(22)12-25-16-9-7-15(8-10-16)21(23)24/h3-11H,12H2,1-2H3,(H,19,22)
InChIKeyAIKMDWLACLQFDF-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.19
Rot. Bonds7

About N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide

N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide (PubChem CID 909373) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide
PubChem CID909373
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC NameN-[[4-(dimethylamino)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide
SMILESCN(C)c1ccc(C=NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H18N4O4/c1-20(2)14-5-3-13(4-6-14)11-18-19-17(22)12-25-16-9-7-15(8-10-16)21(23)24/h3-11H,12H2,1-2H3,(H,19,22)
InChIKeyAIKMDWLACLQFDF-UHFFFAOYSA-N
XLogP2.19
TPSA97.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
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

2-(4-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3514578
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 6002004
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 5416713
2-(4-tert-butylphenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 6368055
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 7039350
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-[4-[(2R)-pentan-2-yl]phenoxy]acetamide
CID 5499286
N-[(E)-naphthalen-2-ylmethylideneamino]-2-(4-nitrophenoxy)acetamide
CID 6896409
2-naphthalen-2-yloxy-N-[(4-nitrophenyl)methylideneamino]acetamide
CID 774635
N-[(Z)-naphthalen-2-ylmethylideneamino]-2-(4-nitrophenoxy)acetamide
CID 5414565
2-(4-nitrophenoxy)-N-(propylideneamino)acetamide
CID 4617733
2-(3-chlorophenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide
CID 7039861
2-(cyclopenten-1-yloxy)-N-[(4-nitrophenyl)methylideneamino]acetamide
CID 4127721

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide (CID 909373) is N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide is CN(C)c1ccc(C=NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide?
The InChIKey is AIKMDWLACLQFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-20(2)14-5-3-13(4-6-14)11-18-19-17(22)12-25-16-9-7-15(8-10-16)21(23)24/h3-11H,12H2,1-2H3,(H,19,22).
What are the key properties of N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide?
N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide has a molecular weight of 342.36 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 909373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).